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

Systemtic Name: 2-azanylethanoyl 3-[2-azanyl-4-[4-[bis(azanyl)methylideneamino]butanoyl]pyridin-3-yl]propanoate Openeye Name: (2-aminoacetyl) 3-[2-amino-4-(4-guanidinobutanoyl)-3-pyridyl]propanoate CAS Name: 3-[2-amino-4-[4-(diaminomethylideneamino)-1-oxobutyl]-3-pyridinyl]propanoic acid (2-amino-1-oxoethyl) ester IUPAC Name: (2-aminoacetyl) 3-[2-amino-4-[4-(diaminomethylideneamino)butanoyl]pyridin-3-yl]propanoate Traditional Name: 3-[2-amino-4-(4-guanidinobutanoyl)-3-pyridyl]propionic acid glycyl ester Formula: C15H22N6O4 MolecularWeight: 350.37298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(C(=C1C(=O)CCCN=C(N)N)CCC(=O)OC(=O)CN)N

Isomeric SMILES

C1=CN=C(C(=C1C(=O)CCCN=C(N)N)CCC(=O)OC(=O)CN)N

InChI

InChI=1S/C15H22N6O4/c16-8-13(24)25-12(23)4-3-10-9(5-7-20-14(10)17)11(22)2-1-6-21-15(18)19/h5,7H,1-4,6,8,16H2,(H2,17,20)(H4,18,19,21)