2-azanylethanoyl 3-[2-azanyl-4-[4-[bis(azanyl)methylideneamino]-3-phenyl-butanoyl]pyridin-3-yl]propanoate

Systemtic Name: 2-azanylethanoyl 3-[2-azanyl-4-[4-[bis(azanyl)methylideneamino]-3-phenyl-butanoyl]pyridin-3-yl]propanoate Openeye Name: (2-aminoacetyl) 3-[2-amino-4-(4-guanidino-3-phenyl-butanoyl)-3-pyridyl]propanoate CAS Name: 3-[2-amino-4-[4-(diaminomethylideneamino)-1-oxo-3-phenylbutyl]-3-pyridinyl]propanoic acid (2-amino-1-oxoethyl) ester IUPAC Name: (2-aminoacetyl) 3-[2-amino-4-[4-(diaminomethylideneamino)-3-phenylbutanoyl]pyridin-3-yl]propanoate Traditional Name: 3-[2-amino-4-(4-guanidino-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=C2)N)CCC(=O)OC(=O)CN)CN=C(N)N

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O4/c22-11-19(30)31-18(29)7-6-16-15(8-9-26-20(16)23)17(28)10-14(12-27-21(24)25)13-4-2-1-3-5-13/h1-5,8-9,14H,6-7,10-12,22H2,(H2,23,26)(H4,24,25,27)