2-azanyl-4-methyl-N-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-N-(2-sulfanylpentanoyl)pentanamide

Systemtic Name: 2-azanyl-4-methyl-N-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-N-(2-sulfanylpentanoyl)pentanamide Openeye Name: 2-amino-N-[1-benzyl-2-(methylamino)-2-oxo-ethyl]-4-methyl-N-(2-sulfanylpentanoyl)pentanamide CAS Name: 2-amino-N-(2-mercapto-1-oxopentyl)-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide IUPAC Name: 2-amino-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-N-(2-sulfanylpentanoyl)pentanamide Traditional Name: 2-amino-N-[1-benzyl-2-keto-2-(methylamino)ethyl]-N-(2-mercaptopentanoyl)-4-methyl-valeramide Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O3S/c1-5-9-18(28)21(27)24(20(26)16(22)12-14(2)3)17(19(25)23-4)13-15-10-7-6-8-11-15/h6-8,10-11,14,16-18,28H,5,9,12-13,22H2,1-4H3,(H,23,25)