1,3-thiazol-4-ylmethyl N-[1-[[4-[2-(tert-butylcarbamoyl)-4-(quinolin-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-(quinolin-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-quinolylmethyl)piperazin-1-yl]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]-N-isopropyl-carbamate CAS Name: N-[1-[[4-[2-[(tert-butylamino)-oxomethyl]-4-(2-quinolinylmethyl)-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-(quinolin-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-quinolylmethyl)piperazino]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]-N-isopropyl-carbamic acid thiazol-4-ylmethyl ester Formula: C42H57N7O5S MolecularWeight: 772.01088

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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=NC4=CC=CC=C4C=C3)O)N(C(C)C)C(=O)OCC5=CSC=N5

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(CN2CCN(CC2C(=O)NC(C)(C)C)CC3=NC4=CC=CC=C4C=C3)O)N(C(C)C)C(=O)OCC5=CSC=N5

InChI

InChI=1S/C42H57N7O5S/c1-28(2)38(49(29(3)4)41(53)54-25-33-26-55-27-43-33)40(52)45-35(21-30-13-9-8-10-14-30)37(50)24-48-20-19-47(23-36(48)39(51)46-42(5,6)7)22-32-18-17-31-15-11-12-16-34(31)44-32/h8-18,26-29,35-38,50H,19-25H2,1-7H3,(H,45,52)(H,46,51)