(2S)-2-azanyl-3-(1H-indol-3-yl)-N-[(5S)-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]propanamide

Systemtic Name: (2S)-2-azanyl-3-(1H-indol-3-yl)-N-[(5S)-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]propanamide Openeye Name: (2S)-2-amino-N-[(5S)-6-hydroxy-5-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]hexyl]-3-(1H-indol-3-yl)propanamide CAS Name: (2S)-2-amino-N-[(5S)-6-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]hexyl]-3-(1H-indol-3-yl)propanamide IUPAC Name: (2S)-2-amino-N-[(5S)-6-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]hexyl]-3-(1H-indol-3-yl)propanamide Traditional Name: (2S)-2-amino-N-[(5S)-6-hydroxy-5-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]hexyl]-3-(1H-indol-3-yl)propionamide Formula: C28H40N4O5S MolecularWeight: 544.706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CN([C@@H](CCCCNC(=O)[C@H](CC1=CNC2=CC=CC=C21)N)CO)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C28H40N4O5S/c1-20(2)18-32(38(35,36)24-13-11-23(37-3)12-14-24)22(19-33)8-6-7-15-30-28(34)26(29)16-21-17-31-27-10-5-4-9-25(21)27/h4-5,9-14,17,20,22,26,31,33H,6-8,15-16,18-19,29H2,1-3H3,(H,30,34)/t22-,26-/m0/s1