methyl (2S)-2-[[(2S)-2-azanyl-3-(phenylmethylsulfanyl)propanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-azanyl-3-(phenylmethylsulfanyl)propanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-amino-3-benzylsulfanyl-propanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-2-amino-1-oxo-3-(phenylmethylthio)propyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-amino-3-benzylsulfanylpropanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-amino-3-(benzylthio)propanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CSCC2=CC=CC=C2)N

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](CSCC2=CC=CC=C2)N

InChI

InChI=1S/C20H24N2O3S/c1-25-20(24)18(12-15-8-4-2-5-9-15)22-19(23)17(21)14-26-13-16-10-6-3-7-11-16/h2-11,17-18H,12-14,21H2,1H3,(H,22,23)/t17-,18+/m1/s1