tert-butyl 2-[[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-(2-methylpropyl)amino]methyl]-3-phenylsulfanyl-propanoate

Systemtic Name: tert-butyl 2-[[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-(2-methylpropyl)amino]methyl]-3-phenylsulfanyl-propanoate Openeye Name: tert-butyl 2-[[[1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl-isobutyl-amino]methyl]-3-phenylsulfanyl-propanoate CAS Name: 2-[[[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-(2-methylpropyl)amino]methyl]-3-(phenylthio)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl-(2-methylpropyl)amino]methyl]-3-phenylsulfanylpropanoate Traditional Name: 2-[[[1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl-isobutyl-amino]methyl]-3-(phenylthio)propionic acid tert-butyl ester Formula: C29H41N3O4S MolecularWeight: 527.71854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(CSC1=CC=CC=C1)C(=O)OC(C)(C)C)C(=O)NC(CC2=CC=CC=C2)C(=O)NC

Isomeric SMILES

CC(C)CN(CC(CSC1=CC=CC=C1)C(=O)OC(C)(C)C)C(=O)NC(CC2=CC=CC=C2)C(=O)NC

InChI

InChI=1S/C29H41N3O4S/c1-21(2)18-32(28(35)31-25(26(33)30-6)17-22-13-9-7-10-14-22)19-23(27(34)36-29(3,4)5)20-37-24-15-11-8-12-16-24/h7-16,21,23,25H,17-20H2,1-6H3,(H,30,33)(H,31,35)