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

Systemtic Name: (2S)-N-[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]-3-(1H-indol-3-yl)-2-[(4-nitrophenyl)sulfonylamino]propanamide Openeye Name: (2S)-N-[(5S)-5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]-3-(1H-indol-3-yl)-2-[(4-nitrophenyl)sulfonylamino]propanamide CAS Name: (2S)-N-[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]-3-(1H-indol-3-yl)-2-[(4-nitrophenyl)sulfonylamino]propanamide IUPAC Name: (2S)-N-[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]-3-(1H-indol-3-yl)-2-[(4-nitrophenyl)sulfonylamino]propanamide Traditional Name: (2S)-N-[(5S)-6-hydroxy-5-[isobutyl(sulfanilyl)amino]hexyl]-3-(1H-indol-3-yl)-2-(nosylamino)propionamide Formula: C33H42N6O8S2 MolecularWeight: 714.85198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(CCCCNC(=O)C(CC1=CNC2=CC=CC=C21)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])CO)S(=O)(=O)C4=CC=C(C=C4)N

Isomeric SMILES

CC(C)CN([C@@H](CCCCNC(=O)[C@H](CC1=CNC2=CC=CC=C21)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])CO)S(=O)(=O)C4=CC=C(C=C4)N

InChI

InChI=1S/C33H42N6O8S2/c1-23(2)21-38(49(46,47)29-14-10-25(34)11-15-29)27(22-40)7-5-6-18-35-33(41)32(19-24-20-36-31-9-4-3-8-30(24)31)37-48(44,45)28-16-12-26(13-17-28)39(42)43/h3-4,8-17,20,23,27,32,36-37,40H,5-7,18-19,21-22,34H2,1-2H3,(H,35,41)/t27-,32-/m0/s1