tert-butyl 3-(tert-butylcarbamoyl)-4-[3-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]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-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]piperazine-1-carboxylate Openeye Name: tert-butyl 3-(tert-butylcarbamoyl)-4-[2-hydroxy-3-[[2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-4-phenyl-butyl]piperazine-1-carboxylate CAS Name: 3-[(tert-butylamino)-oxomethyl]-4-[2-hydroxy-3-[[3-methyl-2-[[[methyl-[(2-propan-2-yl-4-thiazolyl)methyl]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-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-4-phenylbutyl]piperazine-1-carboxylate Traditional Name: 3-(tert-butylcarbamoyl)-4-[2-hydroxy-3-[[2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-4-phenyl-butyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C38H61N7O6S MolecularWeight: 743.99924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)C(CN3CCN(CC3C(=O)NC(C)(C)C)C(=O)OC(C)(C)C)O

Isomeric SMILES

CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)C(CN3CCN(CC3C(=O)NC(C)(C)C)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C38H61N7O6S/c1-24(2)31(41-35(49)43(11)20-27-23-52-34(39-27)25(3)4)33(48)40-28(19-26-15-13-12-14-16-26)30(46)22-44-17-18-45(36(50)51-38(8,9)10)21-29(44)32(47)42-37(5,6)7/h12-16,23-25,28-31,46H,17-22H2,1-11H3,(H,40,48)(H,41,49)(H,42,47)