N-[4-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-5-oxidanylidene-1-(phenylmethyl)-1,4-diazepan-6-yl]-2-sulfanyl-pentanamide

Systemtic Name: N-[4-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-5-oxidanylidene-1-(phenylmethyl)-1,4-diazepan-6-yl]-2-sulfanyl-pentanamide Openeye Name: N-[1-benzyl-4-[1-benzyl-2-(methylamino)-2-oxo-ethyl]-5-oxo-1,4-diazepan-6-yl]-2-sulfanyl-pentanamide CAS Name: 2-mercapto-N-[4-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-5-oxo-1-(phenylmethyl)-1,4-diazepan-6-yl]pentanamide IUPAC Name: N-[1-benzyl-4-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-5-oxo-1,4-diazepan-6-yl]-2-sulfanylpentanamide Traditional Name: N-[1-benzyl-4-[1-benzyl-2-keto-2-(methylamino)ethyl]-5-keto-1,4-diazepan-6-yl]-2-mercapto-valeramide Formula: C27H36N4O3S MolecularWeight: 496.66474

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1CN(CCN(C1=O)C(CC2=CC=CC=C2)C(=O)NC)CC3=CC=CC=C3)S

Isomeric SMILES

CCCC(C(=O)NC1CN(CCN(C1=O)C(CC2=CC=CC=C2)C(=O)NC)CC3=CC=CC=C3)S

InChI

InChI=1S/C27H36N4O3S/c1-3-10-24(35)26(33)29-22-19-30(18-21-13-8-5-9-14-21)15-16-31(27(22)34)23(25(32)28-2)17-20-11-6-4-7-12-20/h4-9,11-14,22-24,35H,3,10,15-19H2,1-2H3,(H,28,32)(H,29,33)