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

Systemtic Name: (2S)-2-acetamido-N-[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]-3-(1H-indol-3-yl)propanamide Openeye Name: (2S)-2-acetamido-N-[(5S)-5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]-3-(1H-indol-3-yl)propanamide CAS Name: (2S)-2-acetamido-N-[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]-3-(1H-indol-3-yl)propanamide IUPAC Name: (2S)-2-acetamido-N-[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]-3-(1H-indol-3-yl)propanamide Traditional Name: (2S)-2-acetamido-N-[(5S)-6-hydroxy-5-[isobutyl(sulfanilyl)amino]hexyl]-3-(1H-indol-3-yl)propionamide Formula: C29H41N5O5S MolecularWeight: 571.73134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(CCCCNC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C)CO)S(=O)(=O)C3=CC=C(C=C3)N

Isomeric SMILES

CC(C)CN([C@@H](CCCCNC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C)CO)S(=O)(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C29H41N5O5S/c1-20(2)18-34(40(38,39)25-13-11-23(30)12-14-25)24(19-35)8-6-7-15-31-29(37)28(33-21(3)36)16-22-17-32-27-10-5-4-9-26(22)27/h4-5,9-14,17,20,24,28,32,35H,6-8,15-16,18-19,30H2,1-3H3,(H,31,37)(H,33,36)/t24-,28-/m0/s1