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

Systemtic Name: 1,3-thiazol-4-ylmethyl N-[1-[[4-[2-(tert-butylcarbamoyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-oxidanyl-1-phenyl-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-N-propan-2-yl-carbamate Openeye Name: thiazol-4-ylmethyl N-[1-[[1-benzyl-3-[2-(tert-butylcarbamoyl)-4-(2-thienylmethyl)piperazin-1-yl]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]-N-isopropyl-carbamate CAS Name: N-[1-[[4-[2-[(tert-butylamino)-oxomethyl]-4-(thiophen-2-ylmethyl)-1-piperazinyl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-propan-2-ylcarbamic acid 4-thiazolylmethyl ester IUPAC Name: 1,3-thiazol-4-ylmethyl N-[1-[[4-[2-(tert-butylcarbamoyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-propan-2-ylcarbamate Traditional Name: N-[1-[[1-benzyl-3-[2-(tert-butylcarbamoyl)-4-(2-thenyl)piperazino]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]-N-isopropyl-carbamic acid thiazol-4-ylmethyl ester Formula: C37H54N6O5S2 MolecularWeight: 726.99186

Click to see the large picture

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=CS3)O)N(C(C)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=CS3)O)N(C(C)C)C(=O)OCC4=CSC=N4

InChI

InChI=1S/C37H54N6O5S2/c1-25(2)33(43(26(3)4)36(47)48-22-28-23-49-24-38-28)35(46)39-30(18-27-12-9-8-10-13-27)32(44)21-42-16-15-41(19-29-14-11-17-50-29)20-31(42)34(45)40-37(5,6)7/h8-14,17,23-26,30-33,44H,15-16,18-22H2,1-7H3,(H,39,46)(H,40,45)