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

Systemtic Name: tert-butyl 2-[[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-(3-methylbutyl)amino]methyl]-3-phenylsulfanyl-propanoate Openeye Name: tert-butyl 2-[[[1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl-isopentyl-amino]methyl]-3-phenylsulfanyl-propanoate CAS Name: 2-[[[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-(3-methylbutyl)amino]methyl]-3-(phenylthio)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl-(3-methylbutyl)amino]methyl]-3-phenylsulfanylpropanoate Traditional Name: 2-[[[1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl-isoamyl-amino]methyl]-3-(phenylthio)propionic acid tert-butyl ester Formula: C30H43N3O4S MolecularWeight: 541.74512

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H43N3O4S/c1-22(2)17-18-33(29(36)32-26(27(34)31-6)19-23-13-9-7-10-14-23)20-24(28(35)37-30(3,4)5)21-38-25-15-11-8-12-16-25/h7-16,22,24,26H,17-21H2,1-6H3,(H,31,34)(H,32,36)