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]-2-methyl-propanamide

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]-2-methyl-propanamide Openeye Name: N-[(1S)-2-[[(5S)-5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-2-methyl-propanamide 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]-2-methylpropanamide 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]-2-methylpropanamide Traditional Name: N-[(1S)-2-[[(5S)-6-hydroxy-5-[isobutyl(sulfanilyl)amino]hexyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-2-methyl-propionamide Formula: C31H45N5O5S MolecularWeight: 599.7845

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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(C)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(C)C)CO)S(=O)(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C31H45N5O5S/c1-21(2)19-36(42(40,41)26-14-12-24(32)13-15-26)25(20-37)9-7-8-16-33-31(39)29(35-30(38)22(3)4)17-23-18-34-28-11-6-5-10-27(23)28/h5-6,10-15,18,21-22,25,29,34,37H,7-9,16-17,19-20,32H2,1-4H3,(H,33,39)(H,35,38)/t25-,29-/m0/s1