4-methyl-2-[[2-[(3-oxidanylidenepiperazin-1-yl)sulfonylmethyl]-3-phenyl-propanoyl]amino]pentanamide

Systemtic Name: 4-methyl-2-[[2-[(3-oxidanylidenepiperazin-1-yl)sulfonylmethyl]-3-phenyl-propanoyl]amino]pentanamide Openeye Name: 2-[[2-benzyl-3-(3-oxopiperazin-1-yl)sulfonyl-propanoyl]amino]-4-methyl-pentanamide CAS Name: 4-methyl-2-[[1-oxo-2-[(3-oxo-1-piperazinyl)sulfonylmethyl]-3-phenylpropyl]amino]pentanamide IUPAC Name: 2-[[2-benzyl-3-(3-oxopiperazin-1-yl)sulfonylpropanoyl]amino]-4-methylpentanamide Traditional Name: 2-[[2-benzyl-3-(3-ketopiperazino)sulfonyl-propanoyl]amino]-4-methyl-valeramide Formula: C20H30N4O5S MolecularWeight: 438.541

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)N2CCNC(=O)C2

Isomeric SMILES

CC(C)CC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)N2CCNC(=O)C2

InChI

InChI=1S/C20H30N4O5S/c1-14(2)10-17(19(21)26)23-20(27)16(11-15-6-4-3-5-7-15)13-30(28,29)24-9-8-22-18(25)12-24/h3-7,14,16-17H,8-13H2,1-2H3,(H2,21,26)(H,22,25)(H,23,27)