ethyl 2-azanyl-5-[[3-[3,4-bis(oxidanyl)phenyl]-1-ethoxy-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: ethyl 2-azanyl-5-[[3-[3,4-bis(oxidanyl)phenyl]-1-ethoxy-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: ethyl 2-amino-5-[[1-[(3,4-dihydroxyphenyl)methyl]-2-ethoxy-2-oxo-ethyl]amino]-5-oxo-pentanoate CAS Name: 2-amino-5-[[3-(3,4-dihydroxyphenyl)-1-ethoxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid ethyl ester IUPAC Name: ethyl 2-amino-5-[[3-(3,4-dihydroxyphenyl)-1-ethoxy-1-oxopropan-2-yl]amino]-5-oxopentanoate Traditional Name: 2-amino-5-[(2-ethoxy-2-keto-1-protocatechuyl-ethyl)amino]-5-keto-valeric acid ethyl ester Formula: C18H26N2O7 MolecularWeight: 382.40824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC(=O)NC(CC1=CC(=C(C=C1)O)O)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C(CCC(=O)NC(CC1=CC(=C(C=C1)O)O)C(=O)OCC)N

InChI

InChI=1S/C18H26N2O7/c1-3-26-17(24)12(19)6-8-16(23)20-13(18(25)27-4-2)9-11-5-7-14(21)15(22)10-11/h5,7,10,12-13,21-22H,3-4,6,8-9,19H2,1-2H3,(H,20,23)