2-[2-oxidanylidene-5-phenyl-3-[(3-phenyl-2-sulfanyl-propanoyl)amino]azepan-1-yl]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-oxidanylidene-5-phenyl-3-[(3-phenyl-2-sulfanyl-propanoyl)amino]azepan-1-yl]-3-phenyl-propanoic acid Openeye Name: 2-[2-oxo-5-phenyl-3-[(3-phenyl-2-sulfanyl-propanoyl)amino]azepan-1-yl]-3-phenyl-propanoic acid CAS Name: 2-[3-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-2-oxo-5-phenyl-1-azepanyl]-3-phenylpropanoic acid IUPAC Name: 2-[2-oxo-5-phenyl-3-[(3-phenyl-2-sulfanylpropanoyl)amino]azepan-1-yl]-3-phenylpropanoic acid Traditional Name: 2-[2-keto-3-[(2-mercapto-3-phenyl-propanoyl)amino]-5-phenyl-azepan-1-yl]-3-phenyl-propionic acid Formula: C30H32N2O4S MolecularWeight: 516.65108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(CC1C2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)S)C(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(C(=O)C(CC1C2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)S)C(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C30H32N2O4S/c33-28(27(37)19-22-12-6-2-7-13-22)31-25-20-24(23-14-8-3-9-15-23)16-17-32(29(25)34)26(30(35)36)18-21-10-4-1-5-11-21/h1-15,24-27,37H,16-20H2,(H,31,33)(H,35,36)