[3-[[2-azanyl-4-oxidanylidene-4-(quinolin-2-ylcarbonylamino)butanoyl]amino]-1-[cyclohexylmethyl-[[2-(methoxycarbonylamino)-3-methyl-butanoyl]amino]amino]-4-phenyl-butan-2-yl] butanoate

Systemtic Name: [3-[[2-azanyl-4-oxidanylidene-4-(quinolin-2-ylcarbonylamino)butanoyl]amino]-1-[cyclohexylmethyl-[[2-(methoxycarbonylamino)-3-methyl-butanoyl]amino]amino]-4-phenyl-butan-2-yl] butanoate Openeye Name: [2-[[2-amino-4-oxo-4-(quinoline-2-carbonylamino)butanoyl]amino]-1-[[cyclohexylmethyl-[[2-(methoxycarbonylamino)-3-methyl-butanoyl]amino]amino]methyl]-3-phenyl-propyl] butanoate CAS Name: butanoic acid [3-[[2-amino-1,4-dioxo-4-[[oxo(2-quinolinyl)methyl]amino]butyl]amino]-1-[cyclohexylmethyl-[[2-(methoxycarbonylamino)-3-methyl-1-oxobutyl]amino]amino]-4-phenylbutan-2-yl] ester IUPAC Name: [3-[[2-amino-4-oxo-4-(quinoline-2-carbonylamino)butanoyl]amino]-1-[cyclohexylmethyl-[[2-(methoxycarbonylamino)-3-methylbutanoyl]amino]amino]-4-phenylbutan-2-yl] butanoate Traditional Name: butyric acid [2-[[2-amino-4-keto-4-(quinaldoylamino)butanoyl]amino]-1-[[[[2-(carbomethoxyamino)-3-methyl-butanoyl]amino]-(cyclohexylmethyl)amino]methyl]-3-phenyl-propyl] ester Formula: C42H57N7O8 MolecularWeight: 787.94408

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(CN(CC1CCCCC1)NC(=O)C(C(C)C)NC(=O)OC)C(CC2=CC=CC=C2)NC(=O)C(CC(=O)NC(=O)C3=NC4=CC=CC=C4C=C3)N

Isomeric SMILES

CCCC(=O)OC(CN(CC1CCCCC1)NC(=O)C(C(C)C)NC(=O)OC)C(CC2=CC=CC=C2)NC(=O)C(CC(=O)NC(=O)C3=NC4=CC=CC=C4C=C3)N

InChI

InChI=1S/C42H57N7O8/c1-5-14-37(51)57-35(26-49(25-29-17-10-7-11-18-29)48-41(54)38(27(2)3)47-42(55)56-4)34(23-28-15-8-6-9-16-28)45-39(52)31(43)24-36(50)46-40(53)33-22-21-30-19-12-13-20-32(30)44-33/h6,8-9,12-13,15-16,19-22,27,29,31,34-35,38H,5,7,10-11,14,17-18,23-26,43H2,1-4H3,(H,45,52)(H,47,55)(H,48,54)(H,46,50,53)