![Chemical structure of (2R)-3-phenyl-2-{[(1r,4r)-4-(propan-2-yl)cyclohexyl]formamido}propanoic acid, CAS 105816-04-4](https://api.angenesci.com/structure/4076/105816-04-4.png)
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| CAS Number | 105816-04-4 |
| Catalog Number | AG003SQL(AGN-PC-0NW7SQ) |
| Chemical Name | (2R)-3-phenyl-2-{[(1r,4r)-4-(propan-2-yl)cyclohexyl]formamido}propanoic acid |
| IUPAC Name | (2R)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid |
| InChI | InChI=1S/C19H27NO3/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,20,21)(H,22,23)/t15?,16?,17-/m1/s1 |
| InChI Key | OELFLUMRDSZNSF-OFLPRAFFSA-N |
| MDL Number | MFCD00875706 |
| Molecular Formula | C19H27NO3 |
| Molecular Weight | 317.4226 |
| SMILES | O=C(O)[C@@H](CC1=CC=CC=C1)NC([C@H]2CC[C@H](C(C)C)CC2)=O |
| UNII | 41X3PWK4O2 |
| Synonyms | A 4166,
A-4166,
A4166,
AY 4166,
AY-4166,
AY4166,
DJN 608,
Fastic,
N-((4-isopropylcyclohexyl)carbonyl)phenylalanine,
nate-glinide,
nateglinide,
nateglinide, (cis,D-Phe)-isomer,
nateglinide, (D-Phe)-isomer,
senaglinide,
Starlix,
Starsis,
nateglinide,
105816-04-4,
Starlix,
Fastic,
Starsis,
Trazec,
AY-4166,
A-4166,
SDZ-DJN-608,
DJN-608,
DJN 608,
Nateglinide [INN],
UNII-41X3PWK4O2,
AY 4166,
AY4166,
MFCD00875706,
CHEMBL783,
A 4166,
SDZ DJN 608,
41X3PWK4O2,
N-[(trans-4-Isopropylcyclohexyl)carbonyl]-D-phenylalanine,
senaglinide,
CHEBI:31897,
SDZ-DJN 608,
105816-06-6,
(-)-N-(trans-4-Isopropylcyclohexanecarbonyl)-D-phenylalanine,
N-{[trans-4-(propan-2-yl)cyclohexyl]carbonyl}-D-phenylalanine,
(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid,
DSSTox_CID_20687,
DSSTox_RID_79543,
DSSTox_GSID_40687,
N-[(trans-4-isopropylcyclohexyl)-carbonyl]-D-phenylalanine,
trans-N-((4-(1-Methylethyl)cyclohexyl)carbonyl)-D-phenylalanine,
D-phenylalanine, N-((trans-4-(1-methylethyl)cyclohexyl)carbonyl)-,
D-Phenylalanine, N-[[trans-4-(1-methylethyl)cyclohexyl]carbonyl]-,
SMR000466372,
CAS-105816-04-4,
nateglinida,
nateglinidum,
trans-N-{[4-(1-methylethyl)cyclohexyl]carbonyl}-D-phenylalanine,
NCGC00095121-01,
Nateglinide [USAN:USP:INN:BAN],
Starsis (TN),
Nateglinide(Starlix),
Nateglinide, Starlix,
YM-026,
Nateglinide (Starlix),
AC1NSKEK,
Nateglinide cis Impurity,
SCHEMBL22088,
MLS000759500,
MLS001424043,
MLS003915639,
MLS006011429,
BIDD:GT0257,
SCHEMBL303827,
GTPL6833,
SCHEMBL7880361,
SCHEMBL9232138,
ZINC9689,
CHEMBL2114389,
D-Phenylalanine, N-((4-(1-methylethyl)cyclohexyl)carbonyl)-, trans-,
DTXSID9040687,
SCHEMBL13753829,
CHEBI:94617,
Nateglinide (JP17/USAN/INN),
OELFLUMRDSZNSF-BRWVUGGUSA-N,
HMS2051G20,
HMS2089A10,
HMS2235O08,
HMS3675G17,
HMS3715F12,
BCP28400,
carboxamido)-3-phenylpropanoic acid,
EBD10749,
HY-B0422,
n-[[trans-4-(1-methylethyl)cyclohexyl]carbonyl]-d-phenylalanine,
Tox21_111432,
BBL033469,
BDBM50344967,
s2489,
STK647123,
AKOS005577723,
AKOS015841612,
AKOS015960899,
Nateglinide, >=98% (HPLC), solid,
Tox21_111432_1,
ZINC100015346,
ZINC101489663,
AC-1690,
CCG-100898,
CS-2528,
DB00731,
KS-5143,
MCULE-4748076858,
NC00148,
SB17322,
NCGC00178741-03,
NCGC00271534-02,
NCGC00271534-03,
BC204579,
CPD000466372,
SAM001246721,
(R)-2-((1r,4R)-4-isopropylcyclohexane,
AB0011153,
AB2000594,
TL8000218,
FT-0631035,
N0912,
SW197528-2,
C12508,
D01111,
K-0514,
AB00639979-06,
AB00639979-08,
AB00639979-09,
AB00639979-11,
AB00639979_12,
816N044,
A-4166;,
A801324,
A1-02996,
Q-201449,
N-(Trans-4-Isopropylcyclohexylcarbonyl)-D-Phenyl Alanine,
n-(trans-4-isopropylcyclohexylcarbonyl)-d-phenylalanine,
(trans-4-isopropylcyclohexane-1-carbonyl)-D-phenylalanine,
N-[[4-(1-methylethyl)cyclohexyl]carbonyl]-D-phenylalanine,
Nateglinide, European Pharmacopoeia (EP) Reference Standard,
((1r,4R)-4-isopropylcyclohexane-1-carbonyl)-D-phenylalanine,
2-[(4-Isopropyl-cyclohexanecarbonyl)-amino]-3-phenyl-propionic acid,
N-(4alpha-Isopropylcyclohexane-1alpha-yl)carbonyl-D-phenylalanine,
Nateglinide, United States Pharmacopeia (USP) Reference Standard,
(2R)-2-[(4-isopropylcyclohexanecarbonyl)amino]-3-phenyl-propanoic acid,
(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)carbonylamino]propanoic acid,
(r)-2-((1r,4r)-4-isopropylcyclohexanecarboxamido)-3-phenylpropanoic acid,
(2R)-2-[[oxo-(4-propan-2-ylcyclohexyl)methyl]amino]-3-phenylpropanoic acid,
(2R)-3-phenyl-2-{[(1r,4r)-4-(propan-2-yl)cyclohexyl]formamido}propanoic acid,
N-[[cis-4-(1-Methylethyl)cyclohexyl]carbonyl]-D-phenylalanine (Nateglinide Impurity),
105746-37-0,
nate-glinide,
glinate,
glunate,
natelide,
Netaglinide,
D-Nateglinide,
IPCCPA,
Starlix (TN),
nateglinide, (D-Phe)-isomer,
D06PSS,
Novartis brand of nateglinide,
nateglinide, (cis,D-Phe)-isomer,
Nateglinide Related CoMpound C,
C19H27NO3,
C19-H27-N-O3,
CB11566,
CID5311309,
CS-O-30674,
N-((4-isopropylcyclohexyl)carbonyl)phenylalanine,
A4166,
B2198,
A10629,
C060142,
n-{[4-(propan-2-yl)cyclohexyl]carbonyl}phenylalanine,
D000077715,
Nateglinide, 98%, an insulin secretagog agent - 1g 1g,
(-)-n-(trans-4-isopropylcyclohexyl-1-carbonyl)-d-phenylalanine,
n-(trans-4-Isopropylcylolohexylcarboxyl)-d-phenylpropylicacid,
3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid,
|
| Complexity | 393 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.199g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.429g/mol |
| Monoisotopic Mass | 317.199g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
| Symbol: | |
| Hazard Class | 6.1 |
| Hazard statements | H302-H361 |
| Packing Group | Ⅲ |
| Precautionary statements | P281 |
| UN Code | UN 2811 |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
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| Test: | Result: |

