methyl 5-[bis(azanyl)methylideneamino]-2-[(3-ethanoyl-7-oxidanyl-2-oxidanylidene-chromen-5-yl)methylamino]pentanoate

Systemtic Name: methyl 5-[bis(azanyl)methylideneamino]-2-[(3-ethanoyl-7-oxidanyl-2-oxidanylidene-chromen-5-yl)methylamino]pentanoate Openeye Name: methyl 2-[(3-acetyl-7-hydroxy-2-oxo-chromen-5-yl)methylamino]-5-guanidino-pentanoate CAS Name: 2-[(3-acetyl-7-hydroxy-2-oxo-1-benzopyran-5-yl)methylamino]-5-(diaminomethylideneamino)pentanoic acid methyl ester IUPAC Name: methyl 2-[(3-acetyl-7-hydroxy-2-oxochromen-5-yl)methylamino]-5-(diaminomethylideneamino)pentanoate Traditional Name: 2-[(3-acetyl-7-hydroxy-2-keto-chromen-5-yl)methylamino]-5-guanidino-valeric acid methyl ester Formula: C19H24N4O6 MolecularWeight: 404.41706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C(C=C2CNC(CCCN=C(N)N)C(=O)OC)O)OC1=O

Isomeric SMILES

CC(=O)C1=CC2=C(C=C(C=C2CNC(CCCN=C(N)N)C(=O)OC)O)OC1=O

InChI

InChI=1S/C19H24N4O6/c1-10(24)13-8-14-11(6-12(25)7-16(14)29-17(13)26)9-23-15(18(27)28-2)4-3-5-22-19(20)21/h6-8,15,23,25H,3-5,9H2,1-2H3,(H4,20,21,22)