3-[2-azanyl-4-(3-carbamimidoylphenyl)pyridin-3-yl]propanoyl 5-azanyl-5-oxidanylidene-pentanoate

Systemtic Name: 3-[2-azanyl-4-(3-carbamimidoylphenyl)pyridin-3-yl]propanoyl 5-azanyl-5-oxidanylidene-pentanoate Openeye Name: 3-[2-amino-4-(3-carbamimidoylphenyl)-3-pyridyl]propanoyl 5-amino-5-oxo-pentanoate CAS Name: 5-amino-5-oxopentanoic acid [3-[2-amino-4-(3-carbamimidoylphenyl)-3-pyridinyl]-1-oxopropyl] ester IUPAC Name: 3-[2-amino-4-(3-carbamimidoylphenyl)pyridin-3-yl]propanoyl 5-amino-5-oxopentanoate Traditional Name: 5-amino-5-keto-valeric acid 3-[4-(3-amidinophenyl)-2-amino-3-pyridyl]propanoyl ester Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=N)N)C2=C(C(=NC=C2)N)CCC(=O)OC(=O)CCCC(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)C(=N)N)C2=C(C(=NC=C2)N)CCC(=O)OC(=O)CCCC(=O)N

InChI

InChI=1S/C20H23N5O4/c21-16(26)5-2-6-17(27)29-18(28)8-7-15-14(9-10-25-20(15)24)12-3-1-4-13(11-12)19(22)23/h1,3-4,9-11H,2,5-8H2,(H2,21,26)(H3,22,23)(H2,24,25)