1,3-thiazol-4-ylmethyl N-[1-[[4-[2-(tert-butylcarbamoyl)-4-(pyridin-3-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-(pyridin-3-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-(3-pyridylmethyl)piperazin-1-yl]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]-N-isopropyl-carbamate CAS Name: N-[1-[[4-[2-[(tert-butylamino)-oxomethyl]-4-(3-pyridinylmethyl)-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-(pyridin-3-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-(3-pyridylmethyl)piperazino]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]-N-isopropyl-carbamic acid thiazol-4-ylmethyl ester Formula: C38H55N7O5S MolecularWeight: 721.9522

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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=CN=CC=C3)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=CN=CC=C3)O)N(C(C)C)C(=O)OCC4=CSC=N4

InChI

InChI=1S/C38H55N7O5S/c1-26(2)34(45(27(3)4)37(49)50-23-30-24-51-25-40-30)36(48)41-31(18-28-12-9-8-10-13-28)33(46)22-44-17-16-43(20-29-14-11-15-39-19-29)21-32(44)35(47)42-38(5,6)7/h8-15,19,24-27,31-34,46H,16-18,20-23H2,1-7H3,(H,41,48)(H,42,47)