2-[(5-acetamido-2-tert-butylsulfanyl-pentanoyl)amino]-4-methyl-N-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]pentanamide

Systemtic Name: 2-[(5-acetamido-2-tert-butylsulfanyl-pentanoyl)amino]-4-methyl-N-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]pentanamide Openeye Name: 2-[(5-acetamido-2-tert-butylsulfanyl-pentanoyl)amino]-N-[1-benzyl-2-(methylamino)-2-oxo-ethyl]-4-methyl-pentanamide CAS Name: 2-[[5-acetamido-2-(tert-butylthio)-1-oxopentyl]amino]-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide IUPAC Name: 2-[(5-acetamido-2-tert-butylsulfanylpentanoyl)amino]-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide Traditional Name: 2-[[5-acetamido-2-(tert-butylthio)pentanoyl]amino]-N-[1-benzyl-2-keto-2-(methylamino)ethyl]-4-methyl-valeramide Formula: C27H44N4O4S MolecularWeight: 520.72766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC)NC(=O)C(CCCNC(=O)C)SC(C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC)NC(=O)C(CCCNC(=O)C)SC(C)(C)C

InChI

InChI=1S/C27H44N4O4S/c1-18(2)16-21(25(34)30-22(24(33)28-7)17-20-12-9-8-10-13-20)31-26(35)23(36-27(4,5)6)14-11-15-29-19(3)32/h8-10,12-13,18,21-23H,11,14-17H2,1-7H3,(H,28,33)(H,29,32)(H,30,34)(H,31,35)