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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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