2-[[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-(3-methylbutyl)amino]methyl]-3-phenylsulfanyl-propanoic acid

Systemtic Name: 2-[[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-(3-methylbutyl)amino]methyl]-3-phenylsulfanyl-propanoic acid Openeye Name: 2-[[[1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl-isopentyl-amino]methyl]-3-phenylsulfanyl-propanoic acid CAS Name: 2-[[[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-(3-methylbutyl)amino]methyl]-3-(phenylthio)propanoic acid IUPAC Name: 2-[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl-(3-methylbutyl)amino]methyl]-3-phenylsulfanylpropanoic acid Traditional Name: 2-[[[1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl-isoamyl-amino]methyl]-3-(phenylthio)propionic acid Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC(CSC1=CC=CC=C1)C(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NC

Isomeric SMILES

CC(C)CCN(CC(CSC1=CC=CC=C1)C(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NC

InChI

InChI=1S/C26H35N3O4S/c1-19(2)14-15-29(17-21(25(31)32)18-34-22-12-8-5-9-13-22)26(33)28-23(24(30)27-3)16-20-10-6-4-7-11-20/h4-13,19,21,23H,14-18H2,1-3H3,(H,27,30)(H,28,33)(H,31,32)