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-[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]-2-sulfanyl-heptanediamide CAS Name: 2-mercapto-N-[4-methyl-1-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]heptanediamide IUPAC Name: 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-pimelamide Formula: C23H36N4O4S MolecularWeight: 464.62134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N4O4S/c1-15(2)13-17(27-23(31)19(32)11-7-8-12-20(24)28)22(30)26-18(21(29)25-3)14-16-9-5-4-6-10-16/h4-6,9-10,15,17-19,32H,7-8,11-14H2,1-3H3,(H2,24,28)(H,25,29)(H,26,30)(H,27,31)