| CAS Number | 245323-45-9 |
| Catalog Number | AG002OG2(AGN-PC-0WCXXN) |
| Chemical Name | Pentanoic acid, 4-methyl-3-[[(phenylmethoxy)carbonyl]amino]-, (3S)- |
| IUPAC Name | (3S)-4-methyl-3-(phenylmethoxycarbonylamino)pentanoic acid |
| InChI | InChI=1S/C14H19NO4/c1-10(2)12(8-13(16)17)15-14(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17)/t12-/m0/s1 |
| InChI Key | RKKWOAKMXYWOIM-LBPRGKRZSA-N |
| MDL Number | MFCD06223041 |
| Molecular Formula | C14H19NO4 |
| Molecular Weight | 265.3050 |
| SMILES | CC(C)[C@@H](NC(OCC1=CC=CC=C1)=O)CC(O)=O |
| Synonyms | 245323-45-9,
CBZ-L-BETA-HOMOVALINE,
(S)-3-(((Benzyloxy)carbonyl)amino)-4-methylpentanoic acid,
(3S)-4-methyl-3-(phenylmethoxycarbonylamino)pentanoic acid,
SCHEMBL9749127,
DTXSID80447772,
ZINC2512010,
MFCD06223041,
AS-37869,
AB0076470,
(3S)-3-(benzyloxycarbonylamino)-4-methyl-pentanoic acid,
(3S)-3-(benzyloxycarbonylamino)-4-methyl-valeric acid,
(3S)-3-{[(benzyloxy)carbonyl]amino}-4-methylpentanoic acid,
Pentanoic acid, 4-methyl-3-[[(phenylmethoxy)carbonyl]amino]-, (3S)-,
CBZ-D-BETA-HOMOVALINE,
CID10901513,
(3S)-4-methyl-3-phenylmethoxycarbonylamino-pentanoic Acid,
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| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.309g/mol |
| Monoisotopic Mass | 265.131g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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