tert-butyl 3-(tert-butylcarbamoyl)-4-[3-[[3-methyl-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 3-(tert-butylcarbamoyl)-4-[3-[[3-methyl-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]piperazine-1-carboxylate Openeye Name: tert-butyl 3-(tert-butylcarbamoyl)-4-[2-hydroxy-3-[[3-methyl-2-[[methyl(thiazol-5-ylmethyl)carbamoyl]amino]butanoyl]amino]-4-phenyl-butyl]piperazine-1-carboxylate CAS Name: 3-[(tert-butylamino)-oxomethyl]-4-[2-hydroxy-3-[[3-methyl-2-[[[methyl(5-thiazolylmethyl)amino]-oxomethyl]amino]-1-oxobutyl]amino]-4-phenylbutyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(tert-butylcarbamoyl)-4-[2-hydroxy-3-[[3-methyl-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoyl]amino]-4-phenylbutyl]piperazine-1-carboxylate Traditional Name: 3-(tert-butylcarbamoyl)-4-[2-hydroxy-3-[[3-methyl-2-[[methyl(thiazol-5-ylmethyl)carbamoyl]amino]butanoyl]amino]-4-phenyl-butyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C35H55N7O6S MolecularWeight: 701.9195

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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)C(=O)OC(C)(C)C)O)NC(=O)N(C)CC3=CN=CS3

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(CN2CCN(CC2C(=O)NC(C)(C)C)C(=O)OC(C)(C)C)O)NC(=O)N(C)CC3=CN=CS3

InChI

InChI=1S/C35H55N7O6S/c1-23(2)29(38-32(46)40(9)19-25-18-36-22-49-25)31(45)37-26(17-24-13-11-10-12-14-24)28(43)21-41-15-16-42(33(47)48-35(6,7)8)20-27(41)30(44)39-34(3,4)5/h10-14,18,22-23,26-29,43H,15-17,19-21H2,1-9H3,(H,37,45)(H,38,46)(H,39,44)