N-[(2S)-1-[[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]amino]-3-(2-methylphenyl)-1-oxidanylidene-propan-2-yl]-4-methyl-3-oxidanyl-benzamide

Systemtic Name: N-[(2S)-1-[[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]amino]-3-(2-methylphenyl)-1-oxidanylidene-propan-2-yl]-4-methyl-3-oxidanyl-benzamide Openeye Name: N-[(1S)-2-[[(5S)-5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]amino]-1-(o-tolylmethyl)-2-oxo-ethyl]-3-hydroxy-4-methyl-benzamide CAS Name: N-[(2S)-1-[[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]amino]-3-(2-methylphenyl)-1-oxopropan-2-yl]-3-hydroxy-4-methylbenzamide IUPAC Name: N-[(2S)-1-[[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]amino]-3-(2-methylphenyl)-1-oxopropan-2-yl]-3-hydroxy-4-methylbenzamide Traditional Name: 3-hydroxy-N-[(1S)-2-[[(5S)-6-hydroxy-5-[isobutyl(sulfanilyl)amino]hexyl]amino]-2-keto-1-(2-methylbenzyl)ethyl]-4-methyl-benzamide Formula: C34H46N4O6S MolecularWeight: 638.81724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(CC2=CC=CC=C2C)C(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)C3=CC=C(C=C3)N)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N[C@@H](CC2=CC=CC=C2C)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)C3=CC=C(C=C3)N)O

InChI

InChI=1S/C34H46N4O6S/c1-23(2)21-38(45(43,44)30-16-14-28(35)15-17-30)29(22-39)11-7-8-18-36-34(42)31(19-26-10-6-5-9-24(26)3)37-33(41)27-13-12-25(4)32(40)20-27/h5-6,9-10,12-17,20,23,29,31,39-40H,7-8,11,18-19,21-22,35H2,1-4H3,(H,36,42)(H,37,41)/t29-,31-/m0/s1