5-[bis(azanyl)methylideneamino]-2-(quinolin-6-ylcarbamoylamino)pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-(quinolin-6-ylcarbamoylamino)pentanoic acid Openeye Name: 5-guanidino-2-(6-quinolylcarbamoylamino)pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[[oxo-(6-quinolinylamino)methyl]amino]pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-(quinolin-6-ylcarbamoylamino)pentanoic acid Traditional Name: 5-guanidino-2-(6-quinolylcarbamoylamino)valeric acid Formula: C16H20N6O3 MolecularWeight: 344.3684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)NC(=O)NC(CCCN=C(N)N)C(=O)O)N=C1

Isomeric SMILES

C1=CC2=C(C=CC(=C2)NC(=O)NC(CCCN=C(N)N)C(=O)O)N=C1

InChI

InChI=1S/C16H20N6O3/c17-15(18)20-8-2-4-13(14(23)24)22-16(25)21-11-5-6-12-10(9-11)3-1-7-19-12/h1,3,5-7,9,13H,2,4,8H2,(H,23,24)(H4,17,18,20)(H2,21,22,25)