(2S)-3-(1H-indol-3-yl)-N-[(5S)-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]-2-[(4-methylphenyl)sulfonylamino]propanamide

Systemtic Name: (2S)-3-(1H-indol-3-yl)-N-[(5S)-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]-2-[(4-methylphenyl)sulfonylamino]propanamide Openeye Name: (2S)-N-[(5S)-6-hydroxy-5-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]hexyl]-3-(1H-indol-3-yl)-2-(p-tolylsulfonylamino)propanamide CAS Name: (2S)-N-[(5S)-6-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]hexyl]-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanamide IUPAC Name: (2S)-N-[(5S)-6-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]hexyl]-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanamide Traditional Name: (2S)-N-[(5S)-6-hydroxy-5-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]hexyl]-3-(1H-indol-3-yl)-2-(tosylamino)propionamide Formula: C35H46N4O7S2 MolecularWeight: 698.89234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C35H46N4O7S2/c1-25(2)23-39(48(44,45)31-18-14-29(46-4)15-19-31)28(24-40)9-7-8-20-36-35(41)34(21-27-22-37-33-11-6-5-10-32(27)33)38-47(42,43)30-16-12-26(3)13-17-30/h5-6,10-19,22,25,28,34,37-38,40H,7-9,20-21,23-24H2,1-4H3,(H,36,41)/t28-,34-/m0/s1