tert-butyl N-[2-[[4-[[(1S)-1-(chloromethyl)-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]carbonyl]-1,3-thiazol-2-yl]carbamoyl]-1-methyl-imidazol-4-yl]carbamate

Systemtic Name: tert-butyl N-[2-[[4-[[(1S)-1-(chloromethyl)-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]carbonyl]-1,3-thiazol-2-yl]carbamoyl]-1-methyl-imidazol-4-yl]carbamate Openeye Name: tert-butyl N-[2-[[4-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]thiazol-2-yl]carbamoyl]-1-methyl-imidazol-4-yl]carbamate CAS Name: N-[2-[[[4-[[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-oxomethyl]-2-thiazolyl]amino]-oxomethyl]-1-methyl-4-imidazolyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[[4-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1,3-thiazol-2-yl]carbamoyl]-1-methylimidazol-4-yl]carbamate Traditional Name: N-[2-[[4-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenz[e]indole-3-carbonyl]thiazol-2-yl]carbamoyl]-1-methyl-imidazol-4-yl]carbamic acid tert-butyl ester Formula: C27H27ClN6O5S MolecularWeight: 583.05848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CN(C(=N1)C(=O)NC2=NC(=CS2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)O)CCl)C

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CN(C(=N1)C(=O)NC2=NC(=CS2)C(=O)N3C[C@H](C4=C3C=C(C5=CC=CC=C54)O)CCl)C

InChI

InChI=1S/C27H27ClN6O5S/c1-27(2,3)39-26(38)31-20-12-33(4)22(30-20)23(36)32-25-29-17(13-40-25)24(37)34-11-14(10-28)21-16-8-6-5-7-15(16)19(35)9-18(21)34/h5-9,12-14,35H,10-11H2,1-4H3,(H,31,38)(H,29,32,36)/t14-/m1/s1