(3S)-2-oxidanylidene-5-phenyl-3-[[(2S)-3-phenyl-2-(pyridin-3-ylmethoxycarbonylamino)propanoyl]amino]pentanethioic S-acid

Systemtic Name: (3S)-2-oxidanylidene-5-phenyl-3-[[(2S)-3-phenyl-2-(pyridin-3-ylmethoxycarbonylamino)propanoyl]amino]pentanethioic S-acid Openeye Name: (3S)-2-oxo-5-phenyl-3-[[(2S)-3-phenyl-2-(3-pyridylmethoxycarbonylamino)propanoyl]amino]pentanethioic S-acid CAS Name: (3S)-2-oxo-3-[[(2S)-1-oxo-2-[[oxo(3-pyridinylmethoxy)methyl]amino]-3-phenylpropyl]amino]-5-phenylpentanethioic S-acid IUPAC Name: (3S)-2-oxo-5-phenyl-3-[[(2S)-3-phenyl-2-(pyridin-3-ylmethoxycarbonylamino)propanoyl]amino]pentanethioic S-acid Traditional Name: (3S)-2-keto-5-phenyl-3-[[(2S)-3-phenyl-2-(3-pyridylmethoxycarbonylamino)propanoyl]amino]thiovaleric acid Formula: C27H27N3O5S MolecularWeight: 505.58538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O5S/c31-24(26(33)36)22(14-13-19-8-3-1-4-9-19)29-25(32)23(16-20-10-5-2-6-11-20)30-27(34)35-18-21-12-7-15-28-17-21/h1-12,15,17,22-23H,13-14,16,18H2,(H,29,32)(H,30,34)(H,33,36)/t22-,23-/m0/s1