3-[(4-aminophenyl)sulfonyl-[1-oxidanyl-6-[3-(2-phenylphenyl)propanoylamino]hexan-2-yl]amino]-2-methyl-propanamide

Systemtic Name: 3-[(4-aminophenyl)sulfonyl-[1-oxidanyl-6-[3-(2-phenylphenyl)propanoylamino]hexan-2-yl]amino]-2-methyl-propanamide Openeye Name: 3-[(4-aminophenyl)sulfonyl-[1-(hydroxymethyl)-5-[3-(2-phenylphenyl)propanoylamino]pentyl]amino]-2-methyl-propanamide CAS Name: 3-[(4-aminophenyl)sulfonyl-[1-hydroxy-6-[[1-oxo-3-(2-phenylphenyl)propyl]amino]hexan-2-yl]amino]-2-methylpropanamide IUPAC Name: 3-[(4-aminophenyl)sulfonyl-[1-hydroxy-6-[3-(2-phenylphenyl)propanoylamino]hexan-2-yl]amino]-2-methylpropanamide Traditional Name: 2-methyl-3-[[1-methylol-5-[3-(2-phenylphenyl)propanoylamino]pentyl]-sulfanilyl-amino]propionamide Formula: C31H40N4O5S MolecularWeight: 580.7381

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C(CCCCNC(=O)CCC1=CC=CC=C1C2=CC=CC=C2)CO)S(=O)(=O)C3=CC=C(C=C3)N)C(=O)N

Isomeric SMILES

CC(CN(C(CCCCNC(=O)CCC1=CC=CC=C1C2=CC=CC=C2)CO)S(=O)(=O)C3=CC=C(C=C3)N)C(=O)N

InChI

InChI=1S/C31H40N4O5S/c1-23(31(33)38)21-35(41(39,40)28-17-15-26(32)16-18-28)27(22-36)12-7-8-20-34-30(37)19-14-25-11-5-6-13-29(25)24-9-3-2-4-10-24/h2-6,9-11,13,15-18,23,27,36H,7-8,12,14,19-22,32H2,1H3,(H2,33,38)(H,34,37)