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

Systemtic Name: (3S)-2-oxidanylidene-4-phenyl-3-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid Openeye Name: (3S)-3-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]-2-oxo-4-phenyl-butanoic acid CAS Name: (3S)-2-oxo-3-[[(2S)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-4-phenylbutanoic acid IUPAC Name: (3S)-2-oxo-4-phenyl-3-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid Traditional Name: (3S)-3-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]-2-keto-4-phenyl-butyric acid Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O6/c1-14(22-21(28)29-13-16-10-6-3-7-11-16)19(25)23-17(18(24)20(26)27)12-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3,(H,22,28)(H,23,25)(H,26,27)/t14-,17-/m0/s1