[[4-azanyl-4-oxidanylidene-2-(quinolin-2-ylcarbonylamino)butanoyl]amino] 2-[(2-azanyl-3-methyl-butanoyl)-(6-phenylhexanoyl)amino]-3,3-dimethyl-oxirane-2-carboxylate

Systemtic Name: [[4-azanyl-4-oxidanylidene-2-(quinolin-2-ylcarbonylamino)butanoyl]amino] 2-[(2-azanyl-3-methyl-butanoyl)-(6-phenylhexanoyl)amino]-3,3-dimethyl-oxirane-2-carboxylate Openeye Name: [[4-amino-4-oxo-2-(quinoline-2-carbonylamino)butanoyl]amino] 2-[(2-amino-3-methyl-butanoyl)-(6-phenylhexanoyl)amino]-3,3-dimethyl-oxirane-2-carboxylate CAS Name: 2-[(2-amino-3-methyl-1-oxobutyl)-(1-oxo-6-phenylhexyl)amino]-3,3-dimethyl-2-oxiranecarboxylic acid [[4-amino-1,4-dioxo-2-[[oxo(2-quinolinyl)methyl]amino]butyl]amino] ester IUPAC Name: [[4-amino-4-oxo-2-(quinoline-2-carbonylamino)butanoyl]amino] 2-[(2-amino-3-methylbutanoyl)-(6-phenylhexanoyl)amino]-3,3-dimethyloxirane-2-carboxylate Traditional Name: 2-[(2-amino-3-methyl-butanoyl)-(6-phenylhexanoyl)amino]-3,3-dimethyl-oxirane-2-carboxylic acid [[4-amino-4-keto-2-(quinaldoylamino)butanoyl]amino] ester Formula: C36H44N6O8 MolecularWeight: 688.76996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(C(=O)CCCCCC1=CC=CC=C1)C2(C(O2)(C)C)C(=O)ONC(=O)C(CC(=O)N)NC(=O)C3=NC4=CC=CC=C4C=C3)N

Isomeric SMILES

CC(C)C(C(=O)N(C(=O)CCCCCC1=CC=CC=C1)C2(C(O2)(C)C)C(=O)ONC(=O)C(CC(=O)N)NC(=O)C3=NC4=CC=CC=C4C=C3)N

InChI

InChI=1S/C36H44N6O8/c1-22(2)30(38)33(47)42(29(44)18-10-6-9-15-23-13-7-5-8-14-23)36(35(3,4)50-36)34(48)49-41-32(46)27(21-28(37)43)40-31(45)26-20-19-24-16-11-12-17-25(24)39-26/h5,7-8,11-14,16-17,19-20,22,27,30H,6,9-10,15,18,21,38H2,1-4H3,(H2,37,43)(H,40,45)(H,41,46)