methyl 3-[[4-[(3-azanylidene-3-methoxy-propyl)amino]-2,3-bis(oxidanyl)-4-oxidanylidene-butanoyl]amino]propanimidate

Systemtic Name: methyl 3-[[4-[(3-azanylidene-3-methoxy-propyl)amino]-2,3-bis(oxidanyl)-4-oxidanylidene-butanoyl]amino]propanimidate Openeye Name: methyl 3-[[2,3-dihydroxy-4-[(3-imino-3-methoxy-propyl)amino]-4-oxo-butanoyl]amino]propanimidate CAS Name: 3-[[2,3-dihydroxy-4-[(3-imino-3-methoxypropyl)amino]-1,4-dioxobutyl]amino]propanimidic acid methyl ester IUPAC Name: methyl 3-[[2,3-dihydroxy-4-[(3-imino-3-methoxypropyl)amino]-4-oxobutanoyl]amino]propanimidate Traditional Name: 3-[[2,3-dihydroxy-4-[(3-imino-3-methoxy-propyl)amino]-4-keto-butanoyl]amino]propionimidic acid methyl ester Formula: C12H22N4O6 MolecularWeight: 318.32628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=N)CCNC(=O)C(C(C(=O)NCCC(=N)OC)O)O

Isomeric SMILES

COC(=N)CCNC(=O)C(C(C(=O)NCCC(=N)OC)O)O

InChI

InChI=1S/C12H22N4O6/c1-21-7(13)3-5-15-11(19)9(17)10(18)12(20)16-6-4-8(14)22-2/h9-10,13-14,17-18H,3-6H2,1-2H3,(H,15,19)(H,16,20)