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]-2,2-dimethyl-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]-2,2-dimethyl-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]-2,2-dimethyl-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]-2,2-dimethylpropanamide 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]-2,2-dimethylpropanamide Traditional Name: N-[(1S)-2-[[(5S)-6-hydroxy-5-[isobutyl(sulfanilyl)amino]hexyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-2,2-dimethyl-propionamide Formula: C32H47N5O5S MolecularWeight: 613.81108

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

InChI

InChI=1S/C32H47N5O5S/c1-22(2)20-37(43(41,42)26-15-13-24(33)14-16-26)25(21-38)10-8-9-17-34-30(39)29(36-31(40)32(3,4)5)18-23-19-35-28-12-7-6-11-27(23)28/h6-7,11-16,19,22,25,29,35,38H,8-10,17-18,20-21,33H2,1-5H3,(H,34,39)(H,36,40)/t25-,29-/m0/s1