2-benzamido-5-[bis(azanyl)methylideneamino]pentanoic acid; 4-methyl-2-oxidanylidene-chromene-7-carboxamide

Systemtic Name: 2-benzamido-5-[bis(azanyl)methylideneamino]pentanoic acid; 4-methyl-2-oxidanylidene-chromene-7-carboxamide Openeye Name: 2-benzamido-5-guanidino-pentanoic acid; 4-methyl-2-oxo-chromene-7-carboxamide CAS Name: 2-benzamido-5-(diaminomethylideneamino)pentanoic acid; 4-methyl-2-oxo-1-benzopyran-7-carboxamide IUPAC Name: 2-benzamido-5-(diaminomethylideneamino)pentanoic acid; 4-methyl-2-oxochromene-7-carboxamide Traditional Name: 2-benzamido-5-guanidino-valeric acid; 2-keto-4-methyl-chromene-7-carboxamide Formula: C24H27N5O6 MolecularWeight: 481.50108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)C(=O)N.C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)C(=O)N.C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C13H18N4O3.C11H9NO3/c14-13(15)16-8-4-7-10(12(19)20)17-11(18)9-5-2-1-3-6-9;1-6-4-10(13)15-9-5-7(11(12)14)2-3-8(6)9/h1-3,5-6,10H,4,7-8H2,(H,17,18)(H,19,20)(H4,14,15,16);2-5H,1H3,(H2,12,14)