2-azanylethanoyl 3-[2-azanyl-4-(4-azanyl-3-phenyl-butanoyl)-5-carbamimidoyl-pyridin-3-yl]propanoate

Systemtic Name: 2-azanylethanoyl 3-[2-azanyl-4-(4-azanyl-3-phenyl-butanoyl)-5-carbamimidoyl-pyridin-3-yl]propanoate Openeye Name: (2-aminoacetyl) 3-[2-amino-4-(4-amino-3-phenyl-butanoyl)-5-carbamimidoyl-3-pyridyl]propanoate CAS Name: 3-[2-amino-4-(4-amino-1-oxo-3-phenylbutyl)-5-carbamimidoyl-3-pyridinyl]propanoic acid (2-amino-1-oxoethyl) ester IUPAC Name: (2-aminoacetyl) 3-[2-amino-4-(4-amino-3-phenylbutanoyl)-5-carbamimidoylpyridin-3-yl]propanoate Traditional Name: 3-[5-amidino-2-amino-4-(4-amino-3-phenyl-butanoyl)-3-pyridyl]propionic acid glycyl ester Formula: C21H26N6O4 MolecularWeight: 426.46894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)C2=C(C(=NC=C2C(=N)N)N)CCC(=O)OC(=O)CN)CN

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)C2=C(C(=NC=C2C(=N)N)N)CCC(=O)OC(=O)CN)CN

InChI

InChI=1S/C21H26N6O4/c22-9-13(12-4-2-1-3-5-12)8-16(28)19-14(6-7-17(29)31-18(30)10-23)21(26)27-11-15(19)20(24)25/h1-5,11,13H,6-10,22-23H2,(H3,24,25)(H2,26,27)