(4-isoquinolin-3-ylphenyl) 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoate

Systemtic Name: (4-isoquinolin-3-ylphenyl) 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoate Openeye Name: [4-(3-isoquinolyl)phenyl] 2-amino-5-guanidino-pentanoate CAS Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid [4-(3-isoquinolinyl)phenyl] ester IUPAC Name: (4-isoquinolin-3-ylphenyl) 2-amino-5-(diaminomethylideneamino)pentanoate Traditional Name: 2-amino-5-guanidino-valeric acid [4-(3-isoquinolyl)phenyl] ester Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)C3=CC=C(C=C3)OC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)C3=CC=C(C=C3)OC(=O)C(CCCN=C(N)N)N

InChI

InChI=1S/C21H23N5O2/c22-18(6-3-11-25-21(23)24)20(27)28-17-9-7-14(8-10-17)19-12-15-4-1-2-5-16(15)13-26-19/h1-2,4-5,7-10,12-13,18H,3,6,11,22H2,(H4,23,24,25)