tert-butyl (4S)-4-[[1-[(4-fluorophenyl)methyl]indol-2-yl]carbonylamino]-5-oxidanylidene-5-[2-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)ethylamino]pentanoate

Systemtic Name: tert-butyl (4S)-4-[[1-[(4-fluorophenyl)methyl]indol-2-yl]carbonylamino]-5-oxidanylidene-5-[2-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)ethylamino]pentanoate Openeye Name: tert-butyl (4S)-4-[[1-[(4-fluorophenyl)methyl]indole-2-carbonyl]amino]-5-oxo-5-[2-(6-thioxocyclohexa-1,3-dien-1-yl)ethylamino]pentanoate CAS Name: (4S)-4-[[[1-[(4-fluorophenyl)methyl]-2-indolyl]-oxomethyl]amino]-5-oxo-5-[2-(6-sulfanylidene-1-cyclohexa-1,3-dienyl)ethylamino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-4-[[1-[(4-fluorophenyl)methyl]indole-2-carbonyl]amino]-5-oxo-5-[2-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)ethylamino]pentanoate Traditional Name: (4S)-4-[[1-(4-fluorobenzyl)indole-2-carbonyl]amino]-5-keto-5-[2-(6-thioxocyclohexa-1,3-dien-1-yl)ethylamino]valeric acid tert-butyl ester Formula: C33H36FN3O4S MolecularWeight: 589.720043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(C(=O)NCCC1=CC=CCC1=S)NC(=O)C2=CC3=CC=CC=C3N2CC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)OC(=O)CC[C@@H](C(=O)NCCC1=CC=CCC1=S)NC(=O)C2=CC3=CC=CC=C3N2CC4=CC=C(C=C4)F

InChI

InChI=1S/C33H36FN3O4S/c1-33(2,3)41-30(38)17-16-26(31(39)35-19-18-23-8-5-7-11-29(23)42)36-32(40)28-20-24-9-4-6-10-27(24)37(28)21-22-12-14-25(34)15-13-22/h4-10,12-15,20,26H,11,16-19,21H2,1-3H3,(H,35,39)(H,36,40)/t26-/m0/s1