4-azanyl-7-[bis(azanyl)methylideneamino]-3-oxidanylidene-2-[(phenylmethyl)amino]heptanoic acid

Systemtic Name: 4-azanyl-7-[bis(azanyl)methylideneamino]-3-oxidanylidene-2-[(phenylmethyl)amino]heptanoic acid Openeye Name: 4-amino-2-(benzylamino)-7-guanidino-3-oxo-heptanoic acid CAS Name: 4-amino-7-(diaminomethylideneamino)-3-oxo-2-[(phenylmethyl)amino]heptanoic acid IUPAC Name: 4-amino-2-(benzylamino)-7-(diaminomethylideneamino)-3-oxoheptanoic acid Traditional Name: 4-amino-2-(benzylamino)-7-guanidino-3-keto-enanthic acid Formula: C15H23N5O3 MolecularWeight: 321.37482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(C(=O)C(CCCN=C(N)N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(C(=O)C(CCCN=C(N)N)N)C(=O)O

InChI

InChI=1S/C15H23N5O3/c16-11(7-4-8-19-15(17)18)13(21)12(14(22)23)20-9-10-5-2-1-3-6-10/h1-3,5-6,11-12,20H,4,7-9,16H2,(H,22,23)(H4,17,18,19)