(2S)-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-sulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-sulfanyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-4-sulfanyl-butanoic acid CAS Name: (2S)-4-mercapto-2-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]butanoic acid IUPAC Name: (2S)-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-sulfanylbutanoic acid Traditional Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-4-mercapto-butyric acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CCS)C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCS)C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O5S/c24-19(22-17(11-12-29)20(25)26)18(13-15-7-3-1-4-8-15)23-21(27)28-14-16-9-5-2-6-10-16/h1-10,17-18,29H,11-14H2,(H,22,24)(H,23,27)(H,25,26)/t17-,18-/m0/s1