tert-butyl N-[(2S)-3-(4-tert-butylphenyl)-1-[[(5S)-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]amino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-3-(4-tert-butylphenyl)-1-[[(5S)-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(4-tert-butylphenyl)methyl]-2-[[(5S)-6-hydroxy-5-[isobutyl(p-tolylsulfonyl)amino]hexyl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-3-(4-tert-butylphenyl)-1-[[(5S)-6-hydroxy-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexyl]amino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-3-(4-tert-butylphenyl)-1-[[(5S)-6-hydroxy-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexyl]amino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-1-(4-tert-butylbenzyl)-2-[[(5S)-6-hydroxy-5-[isobutyl(tosyl)amino]hexyl]amino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C35H55N3O6S MolecularWeight: 645.8927

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)C(CCCCNC(=O)C(CC2=CC=C(C=C2)C(C)(C)C)NC(=O)OC(C)(C)C)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)[C@H](CC2=CC=C(C=C2)C(C)(C)C)NC(=O)OC(C)(C)C)CO

InChI

InChI=1S/C35H55N3O6S/c1-25(2)23-38(45(42,43)30-19-13-26(3)14-20-30)29(24-39)12-10-11-21-36-32(40)31(37-33(41)44-35(7,8)9)22-27-15-17-28(18-16-27)34(4,5)6/h13-20,25,29,31,39H,10-12,21-24H2,1-9H3,(H,36,40)(H,37,41)/t29-,31-/m0/s1