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

Systemtic Name: N-[(2S)-1-[[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: N-[(1S)-2-[[(5S)-5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]benzamide CAS Name: N-[(2S)-1-[[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide IUPAC Name: N-[(2S)-1-[[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide Traditional Name: N-[(1S)-2-[[(5S)-6-hydroxy-5-[isobutyl(sulfanilyl)amino]hexyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]benzamide Formula: C34H43N5O5S MolecularWeight: 633.80072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(CCCCNC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=CC=C3)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)NC(=O)C3=CC=CC=C3)CO)S(=O)(=O)C4=CC=C(C=C4)N

InChI

InChI=1S/C34H43N5O5S/c1-24(2)22-39(45(43,44)29-17-15-27(35)16-18-29)28(23-40)12-8-9-19-36-34(42)32(38-33(41)25-10-4-3-5-11-25)20-26-21-37-31-14-7-6-13-30(26)31/h3-7,10-11,13-18,21,24,28,32,37,40H,8-9,12,19-20,22-23,35H2,1-2H3,(H,36,42)(H,38,41)/t28-,32-/m0/s1