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]-3,3-dimethyl-butanamide

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]-3,3-dimethyl-butanamide Openeye Name: N-[(1S)-2-[[(5S)-5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-3,3-dimethyl-butanamide 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]-3,3-dimethylbutanamide 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]-3,3-dimethylbutanamide Traditional Name: N-[(1S)-2-[[(5S)-6-hydroxy-5-[isobutyl(sulfanilyl)amino]hexyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-3,3-dimethyl-butyramide Formula: C33H49N5O5S MolecularWeight: 627.83766

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H49N5O5S/c1-23(2)21-38(44(42,43)27-15-13-25(34)14-16-27)26(22-39)10-8-9-17-35-32(41)30(37-31(40)19-33(3,4)5)18-24-20-36-29-12-7-6-11-28(24)29/h6-7,11-16,20,23,26,30,36,39H,8-10,17-19,21-22,34H2,1-5H3,(H,35,41)(H,37,40)/t26-,30-/m0/s1