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

Systemtic Name: (3S)-2-oxidanylidene-4-phenyl-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanethioic S-acid Openeye Name: (3S)-3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-oxo-4-phenyl-butanethioic S-acid CAS Name: (3S)-2-oxo-3-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-4-phenylbutanethioic S-acid IUPAC Name: (3S)-2-oxo-4-phenyl-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanethioic S-acid Traditional Name: (3S)-3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-keto-4-phenyl-thiobutyric acid Formula: C27H26N2O5S MolecularWeight: 490.57074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)C(=O)S)NC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)C(=O)S)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H26N2O5S/c30-24(26(32)35)22(16-19-10-4-1-5-11-19)28-25(31)23(17-20-12-6-2-7-13-20)29-27(33)34-18-21-14-8-3-9-15-21/h1-15,22-23H,16-18H2,(H,28,31)(H,29,33)(H,32,35)/t22-,23-/m0/s1