tert-butyl N-[(2S)-3-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]-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-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]-1-[[(5S)-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-[[4-[(2S)-2-(tert-butoxycarbonylamino)-3-[[(5S)-6-hydroxy-5-[isobutyl(p-tolylsulfonyl)amino]hexyl]amino]-3-oxo-propyl]phenyl]methyl]carbamate CAS Name: N-[(2S)-3-[4-[[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]methyl]phenyl]-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-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]-1-[[(5S)-6-hydroxy-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexyl]amino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[4-[(2S)-2-(tert-butoxycarbonylamino)-3-[[(5S)-6-hydroxy-5-[isobutyl(tosyl)amino]hexyl]amino]-3-keto-propyl]benzyl]carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C47H60N4O8S MolecularWeight: 841.0663

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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)CNC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)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)CNC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)NC(=O)OC(C)(C)C)CO

InChI

InChI=1S/C47H60N4O8S/c1-32(2)29-51(60(56,57)37-24-18-33(3)19-25-37)36(30-52)13-11-12-26-48-44(53)43(50-46(55)59-47(4,5)6)27-34-20-22-35(23-21-34)28-49-45(54)58-31-42-40-16-9-7-14-38(40)39-15-8-10-17-41(39)42/h7-10,14-25,32,36,42-43,52H,11-13,26-31H2,1-6H3,(H,48,53)(H,49,54)(H,50,55)/t36-,43-/m0/s1