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

Systemtic Name: 4-methyl-N-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-[[5-(phenylsulfonylamino)-2-sulfanyl-pentanoyl]amino]pentanamide Openeye Name: 2-[[5-(benzenesulfonamido)-2-sulfanyl-pentanoyl]amino]-N-[1-benzyl-2-(methylamino)-2-oxo-ethyl]-4-methyl-pentanamide CAS Name: 2-[[5-(benzenesulfonamido)-2-mercapto-1-oxopentyl]amino]-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide IUPAC Name: 2-[[5-(benzenesulfonamido)-2-sulfanylpentanoyl]amino]-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide Traditional Name: 2-[[5-(benzenesulfonamido)-2-mercapto-pentanoyl]amino]-N-[1-benzyl-2-keto-2-(methylamino)ethyl]-4-methyl-valeramide Formula: C27H38N4O5S2 MolecularWeight: 562.74442

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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(CCCNS(=O)(=O)C2=CC=CC=C2)S

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC)NC(=O)C(CCCNS(=O)(=O)C2=CC=CC=C2)S

InChI

InChI=1S/C27H38N4O5S2/c1-19(2)17-22(26(33)30-23(25(32)28-3)18-20-11-6-4-7-12-20)31-27(34)24(37)15-10-16-29-38(35,36)21-13-8-5-9-14-21/h4-9,11-14,19,22-24,29,37H,10,15-18H2,1-3H3,(H,28,32)(H,30,33)(H,31,34)