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

Systemtic Name: tert-butyl N-[(2S)-3-(1H-indol-3-yl)-1-[[(5S)-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[[(5S)-6-hydroxy-5-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]hexyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[[(5S)-6-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]hexyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[(5S)-6-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]hexyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[[(5S)-6-hydroxy-5-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]hexyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C33H48N4O7S MolecularWeight: 644.82182

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H48N4O7S/c1-23(2)21-37(45(41,42)27-16-14-26(43-6)15-17-27)25(22-38)11-9-10-18-34-31(39)30(36-32(40)44-33(3,4)5)19-24-20-35-29-13-8-7-12-28(24)29/h7-8,12-17,20,23,25,30,35,38H,9-11,18-19,21-22H2,1-6H3,(H,34,39)(H,36,40)/t25-,30-/m0/s1