3-methyl-N-[4-[2-methylpropyl(methylsulfonyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(2-pyrrolidin-1-ylethanoylamino)pentanamide

Systemtic Name: 3-methyl-N-[4-[2-methylpropyl(methylsulfonyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(2-pyrrolidin-1-ylethanoylamino)pentanamide Openeye Name: N-[1-benzyl-2-hydroxy-3-[isobutyl(methylsulfonyl)amino]propyl]-3-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide CAS Name: N-[3-hydroxy-4-[2-methylpropyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]-3-methyl-2-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]pentanamide IUPAC Name: N-[3-hydroxy-4-[2-methylpropyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]-3-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide Traditional Name: N-[1-benzyl-2-hydroxy-3-[isobutyl(mesyl)amino]propyl]-3-methyl-2-[(2-pyrrolidinoacetyl)amino]valeramide Formula: C27H46N4O5S MolecularWeight: 538.74294

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(CN(CC(C)C)S(=O)(=O)C)O)NC(=O)CN2CCCC2

Isomeric SMILES

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(CN(CC(C)C)S(=O)(=O)C)O)NC(=O)CN2CCCC2

InChI

InChI=1S/C27H46N4O5S/c1-6-21(4)26(29-25(33)19-30-14-10-11-15-30)27(34)28-23(16-22-12-8-7-9-13-22)24(32)18-31(17-20(2)3)37(5,35)36/h7-9,12-13,20-21,23-24,26,32H,6,10-11,14-19H2,1-5H3,(H,28,34)(H,29,33)