N'-methyl-N-[4-methyl-1-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]-2-sulfanyl-heptanediamide

Systemtic Name: N'-methyl-N-[4-methyl-1-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]-2-sulfanyl-heptanediamide Openeye Name: N-[1-[[1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]-N'-methyl-2-sulfanyl-heptanediamide CAS Name: 2-mercapto-N'-methyl-N-[4-methyl-1-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]heptanediamide IUPAC Name: N'-methyl-N-[4-methyl-1-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]-2-sulfanylheptanediamide Traditional Name: N-[1-[[1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl]-3-methyl-butyl]-2-mercapto-N'-methyl-pimelamide Formula: C24H38N4O4S MolecularWeight: 478.64792

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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(CCCCC(=O)NC)S

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC)NC(=O)C(CCCCC(=O)NC)S

InChI

InChI=1S/C24H38N4O4S/c1-16(2)14-18(28-24(32)20(33)12-8-9-13-21(29)25-3)23(31)27-19(22(30)26-4)15-17-10-6-5-7-11-17/h5-7,10-11,16,18-20,33H,8-9,12-15H2,1-4H3,(H,25,29)(H,26,30)(H,27,31)(H,28,32)