2-[[[methyl(3-phenylpropanoyl)amino]carbamoyl-(2-methylpropyl)amino]methyl]-3-phenylsulfanyl-propanoic acid

Systemtic Name: 2-[[[methyl(3-phenylpropanoyl)amino]carbamoyl-(2-methylpropyl)amino]methyl]-3-phenylsulfanyl-propanoic acid Openeye Name: 2-[[isobutyl-[[methyl(3-phenylpropanoyl)amino]carbamoyl]amino]methyl]-3-phenylsulfanyl-propanoic acid CAS Name: 2-[[[[2-methyl-2-(1-oxo-3-phenylpropyl)hydrazinyl]-oxomethyl]-(2-methylpropyl)amino]methyl]-3-(phenylthio)propanoic acid IUPAC Name: 2-[[[methyl(3-phenylpropanoyl)amino]carbamoyl-(2-methylpropyl)amino]methyl]-3-phenylsulfanylpropanoic acid Traditional Name: 2-[[[hydrocinnamoyl(methyl)amino]carbamoyl-isobutyl-amino]methyl]-3-(phenylthio)propionic acid Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(CSC1=CC=CC=C1)C(=O)O)C(=O)NN(C)C(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)CN(CC(CSC1=CC=CC=C1)C(=O)O)C(=O)NN(C)C(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C25H33N3O4S/c1-19(2)16-28(17-21(24(30)31)18-33-22-12-8-5-9-13-22)25(32)26-27(3)23(29)15-14-20-10-6-4-7-11-20/h4-13,19,21H,14-18H2,1-3H3,(H,26,32)(H,30,31)