1,3-thiazol-4-ylmethyl N-[1-[[4-[2-(tert-butylcarbamoyl)-4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxidanyl-1-phenyl-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-N-methyl-carbamate

Systemtic Name: 1,3-thiazol-4-ylmethyl N-[1-[[4-[2-(tert-butylcarbamoyl)-4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxidanyl-1-phenyl-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-N-methyl-carbamate Openeye Name: thiazol-4-ylmethyl N-[1-[[1-benzyl-3-[2-(tert-butylcarbamoyl)-4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]-N-methyl-carbamate CAS Name: N-[1-[[4-[2-[(tert-butylamino)-oxomethyl]-4-[(4-fluorophenyl)methyl]-1-piperazinyl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamic acid 4-thiazolylmethyl ester IUPAC Name: 1,3-thiazol-4-ylmethyl N-[1-[[4-[2-(tert-butylcarbamoyl)-4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate Traditional Name: N-[1-[[1-benzyl-3-[2-(tert-butylcarbamoyl)-4-(4-fluorobenzyl)piperazino]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]-N-methyl-carbamic acid thiazol-4-ylmethyl ester Formula: C37H51FN6O5S MolecularWeight: 710.901443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(CN2CCN(CC2C(=O)NC(C)(C)C)CC3=CC=C(C=C3)F)O)N(C)C(=O)OCC4=CSC=N4

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(CN2CCN(CC2C(=O)NC(C)(C)C)CC3=CC=C(C=C3)F)O)N(C)C(=O)OCC4=CSC=N4

InChI

InChI=1S/C37H51FN6O5S/c1-25(2)33(42(6)36(48)49-22-29-23-50-24-39-29)35(47)40-30(18-26-10-8-7-9-11-26)32(45)21-44-17-16-43(19-27-12-14-28(38)15-13-27)20-31(44)34(46)41-37(3,4)5/h7-15,23-25,30-33,45H,16-22H2,1-6H3,(H,40,47)(H,41,46)