(2S)-N-[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]-2-[(4-nitrophenyl)sulfonylamino]-3-phenyl-propanamide

Systemtic Name: (2S)-N-[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]-2-[(4-nitrophenyl)sulfonylamino]-3-phenyl-propanamide Openeye Name: (2S)-N-[(5S)-5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]-2-[(4-nitrophenyl)sulfonylamino]-3-phenyl-propanamide CAS Name: (2S)-N-[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]-2-[(4-nitrophenyl)sulfonylamino]-3-phenylpropanamide IUPAC Name: (2S)-N-[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]-2-[(4-nitrophenyl)sulfonylamino]-3-phenylpropanamide Traditional Name: (2S)-N-[(5S)-6-hydroxy-5-[isobutyl(sulfanilyl)amino]hexyl]-2-(nosylamino)-3-phenyl-propionamide Formula: C31H41N5O8S2 MolecularWeight: 675.81594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(CCCCNC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])CO)S(=O)(=O)C3=CC=C(C=C3)N

Isomeric SMILES

CC(C)CN([C@@H](CCCCNC(=O)[C@H](CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])CO)S(=O)(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C31H41N5O8S2/c1-23(2)21-35(46(43,44)29-15-11-25(32)12-16-29)27(22-37)10-6-7-19-33-31(38)30(20-24-8-4-3-5-9-24)34-45(41,42)28-17-13-26(14-18-28)36(39)40/h3-5,8-9,11-18,23,27,30,34,37H,6-7,10,19-22,32H2,1-2H3,(H,33,38)/t27-,30-/m0/s1