2-[naphthalen-2-ylcarbonyl-[3-phenyl-2-[(3-phenyl-2-sulfanyl-propanoyl)amino]propyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[naphthalen-2-ylcarbonyl-[3-phenyl-2-[(3-phenyl-2-sulfanyl-propanoyl)amino]propyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[naphthalene-2-carbonyl-[3-phenyl-2-[(3-phenyl-2-sulfanyl-propanoyl)amino]propyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-3-phenylpropyl]-[2-naphthalenyl(oxo)methyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[naphthalene-2-carbonyl-[3-phenyl-2-[(3-phenyl-2-sulfanylpropanoyl)amino]propyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[(2-mercapto-3-phenyl-propanoyl)amino]-3-phenyl-propyl]-(2-naphthoyl)amino]-3-phenyl-propionic acid Formula: C38H36N2O4S MolecularWeight: 616.76844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CN(C(CC2=CC=CC=C2)C(=O)O)C(=O)C3=CC4=CC=CC=C4C=C3)NC(=O)C(CC5=CC=CC=C5)S

Isomeric SMILES

C1=CC=C(C=C1)CC(CN(C(CC2=CC=CC=C2)C(=O)O)C(=O)C3=CC4=CC=CC=C4C=C3)NC(=O)C(CC5=CC=CC=C5)S

InChI

InChI=1S/C38H36N2O4S/c41-36(35(45)24-29-16-8-3-9-17-29)39-33(22-27-12-4-1-5-13-27)26-40(34(38(43)44)23-28-14-6-2-7-15-28)37(42)32-21-20-30-18-10-11-19-31(30)25-32/h1-21,25,33-35,45H,22-24,26H2,(H,39,41)(H,43,44)