![Chemical structure of 2-amino-3-[(carboxymethyl)sulfanyl]propanoic acid, CAS 25390-17-4](https://api.angenesci.com/structure/3166/25390-17-4.png)
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| CAS Number | 25390-17-4 |
| Catalog Number | AG00BGCC(AGN-PC-0O8AQW) |
| Chemical Name | 2-amino-3-[(carboxymethyl)sulfanyl]propanoic acid |
| EC Number | 246-934-4 |
| IUPAC Name | 2-amino-3-(carboxymethylsulfanyl)propanoic acid |
| InChI | InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10) |
| InChI Key | GBFLZEXEOZUWRN-UHFFFAOYSA-N |
| MDL Number | MFCD00063941 |
| Molecular Formula | C5H9NO4S |
| Molecular Weight | 179.1943 |
| SMILES | NC(C(O)=O)CSCC(O)=O |
| Synonyms | 3-(Carboxymethylthio)alanine,
Carbocysteine,
Carbocysteine, L Isomer,
Carbocysteine, L-Isomer,
L-Isomer Carbocysteine,
Mucodine,
Mucodyne,
Mukodin,
Rhinathiol,
S Carboxymethylcysteine,
S-(Carboxymethyl)-L-cysteine,
S-Carboxymethylcysteine,
Thiodril,
carbocysteine,
Loviscol,
Rhinathiol,
Thiodril,
S-(Carboxymethyl)cysteine,
Broncodeterge,
Muciclar,
Mucocis,
Mucodine,
Reomucil,
3-(Carboxymethylthio)alanine,
2387-59-9,
Mucodyne,
Cysteine, S-(carboxymethyl)-,
25390-17-4,
5-Amino-3-thiadihexanoic acid,
L-Cysteine, S-(carboxymethyl)-,
Lisomucil,
Mucofan,
(RS)-Carbocisteine,
S-(Carboxymethyl)-DL-cysteine,
S-Carboxymethylcysteine,
3-((Carboxymethyl)thio)alanine,
Carbocysteine [USAN],
L-Carboxymethylcysteine,
1-Carboxymethylcysteine,
S-(Carboxymethyl)-(RS)-cysteine,
NSC 68427,
S-Carboxylmethyl-L-cysteine,
Cysteine,S-(carboxymethyl)-,
Transbronchin,
Fluifort,
Rinatiol,
2-Amino-3-(carboxymethylthio)propionic acid,
3-[(Carboxymethyl)thio]alanine,
H-DL-Cys(S-carboxymethyl)-OH,
2-amino-3-(carboxymethylsulfanyl)propanoic acid,
GBFLZEXEOZUWRN-UHFFFAOYSA-N,
3-[(Carboxymethyl)thio]-L-alanine,
Carbocysteine (USAN),
NCGC00159426-02,
AHR-3053,
DSSTox_CID_2738,
C5H9NO4S,
DSSTox_RID_76709,
DSSTox_GSID_22738,
Mucojet sirup,
Mucolex sirup,
Superthiol sirup,
3-(Carboxymethylthio)-L-alanine,
Carbocystein,
Mukodin,
AHR 3053,
LJ 206,
SCMC,
Carbocisteine (INN),
Carboxymethylenecysteine,
Carbocysteine, DL,
CAS-2387-59-9,
Carbocysteine, DL-,
1-carboxy-2-carboxymethylmercaptoethyl amine,
Carbocisteinum [INN-Latin],
Carbocisteina [INN-Spanish],
Carbocysteine, L-Isomer,
Carbocysteinum,
EINECS 211-327-5,
NSC 14156,
DL-3-(Carboxymethylthio)alanine,
L.J.206,
DL-cysteine, S-(carboxymethyl)-,
BRN 1725012,
L.J. 206,
EINECS 246-934-4,
Mucofan (TN),
(RS)-Cysteine, S-(carboxymethyl)-,
ACMC-209nik,
AC1L1AOK,
SCHEMBL69149,
(CARBOXYMETHYL)CYSTEINE,
S-(2-carboxy-methyl)cysteine,
CHEMBL1447969,
DTXSID9022738,
CTK4F5645,
HY-D0205,
NSC14156,
NSC68427,
Tox21_111658,
BBL036318,
NSC-14156,
NSC-68427,
.beta.-(Carboxymethylmercapto)alanine,
AKOS009157540,
Tox21_111658_1,
CS-7884,
MCULE-1997609241,
ACM25390174,
NCGC00159426-03,
NCGC00263559-01,
AN-47028,
AN-50804,
LS-15931,
LS-15932,
SC-19245,
2-amino-3-(carboxymethylthio)propanoic acid,
AB0213245,
ALANINE, 3-((CARBOXYMETHYL)THIO)-,
FT-0656229,
D06393,
2-azanyl-3-(carboxymethylsulfanyl)propanoic acid,
2-amino-3-[(carboxymethyl)sulfanyl]propanoic acid,
A816956,
SR-01000944402,
I04-0042,
SR-01000944402-1,
2-Amino-3-[(2-hydroxy-2-oxoethyl)thio]propanoic acid,
2-azanyl-3-(2-hydroxy-2-oxoethylsulfanyl)propanoic acid,
Carbocisteine,
carbocistein,
Bronchokod,
Siroxyl,
Carboxymethylcysteine,
S-Carboxymethyl-L-cysteine,
S- -DL-cysteine,
H-Cys(carboxymethyl)-OH,
L-Isomer Carbocysteine,
S Carboxymethylcysteine,
Carbocysteine, L Isomer,
Carboxymethylated Cysteine,
ALANINE, L-,
S-(CARBOXYMETHYL)-L-CYSTEINE,
UNII-4252LRM78Q,
(R)-S-(Carboxymethyl)cysteine,
S-(Carboxymethyl)-(R)-cysteine,
L-3-((Carboxymethyl)thio)alanine,
CID1080,
C5-H9-N-O4-S,
4252LRM78Q,
(L)-2-Amino-3-(carboxymethylthio)propionic acid,
638-23-3,
Alanine, 3-((carboxymethyl)thio)-, L-,
2-amino-3-((carboxymethyl)thio)propanoic acid,
D002233,
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| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.19g/mol |
| Monoisotopic Mass | 179.025g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 126A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -3.1 |
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