methyl 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]carbamate

Systemtic Name: methyl 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]carbamate Openeye Name: methyl N-[(1S)-2-[[(5S)-5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamate 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]carbamic acid methyl ester IUPAC Name: methyl N-[(2S)-1-[[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[[(5S)-6-hydroxy-5-[isobutyl(sulfanilyl)amino]hexyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamic acid methyl ester Formula: C29H41N5O6S MolecularWeight: 587.73074

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H41N5O6S/c1-20(2)18-34(41(38,39)24-13-11-22(30)12-14-24)23(19-35)8-6-7-15-31-28(36)27(33-29(37)40-3)16-21-17-32-26-10-5-4-9-25(21)26/h4-5,9-14,17,20,23,27,32,35H,6-8,15-16,18-19,30H2,1-3H3,(H,31,36)(H,33,37)/t23-,27-/m0/s1