tert-butyl 3-[[4-azanyl-4-oxidanylidene-2-(2H-pyrazin-1-ylcarbonylamino)butanoyl]amino]-2-oxidanyl-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 3-[[4-azanyl-4-oxidanylidene-2-(2H-pyrazin-1-ylcarbonylamino)butanoyl]amino]-2-oxidanyl-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate Openeye Name: tert-butyl 3-[[4-amino-4-oxo-2-(2H-pyrazine-1-carbonylamino)butanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate CAS Name: 3-[[4-amino-1,4-dioxo-2-[[oxo(2H-pyrazin-1-yl)methyl]amino]butyl]amino]-2-hydroxy-1-(1-oxo-4-phenylbutyl)-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[4-amino-4-oxo-2-(2H-pyrazine-1-carbonylamino)butanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate Traditional Name: 3-[[4-amino-4-keto-2-(2H-pyrazine-1-carbonylamino)butanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C28H38N6O7 MolecularWeight: 570.63732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(C(CCN1C(=O)CCCC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)N3CC=NC=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)C1(C(CCN1C(=O)CCCC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)N3CC=NC=C3)O

InChI

InChI=1S/C28H38N6O7/c1-27(2,3)41-25(38)28(40)21(12-15-34(28)23(36)11-7-10-19-8-5-4-6-9-19)32-24(37)20(18-22(29)35)31-26(39)33-16-13-30-14-17-33/h4-6,8-9,13-14,16,20-21,40H,7,10-12,15,17-18H2,1-3H3,(H2,29,35)(H,31,39)(H,32,37)