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

Systemtic Name: 3-azanylpropanoyl 3-[2-azanyl-4-[4-[bis(azanyl)methylideneamino]butanoyl]pyridin-3-yl]propanoate Openeye Name: 3-aminopropanoyl 3-[2-amino-4-(4-guanidinobutanoyl)-3-pyridyl]propanoate CAS Name: 3-[2-amino-4-[4-(diaminomethylideneamino)-1-oxobutyl]-3-pyridinyl]propanoic acid (3-amino-1-oxopropyl) ester IUPAC Name: 3-aminopropanoyl 3-[2-amino-4-[4-(diaminomethylideneamino)butanoyl]pyridin-3-yl]propanoate Traditional Name: 3-[2-amino-4-(4-guanidinobutanoyl)-3-pyridyl]propionic acid 3-aminopropanoyl ester Formula: C16H24N6O4 MolecularWeight: 364.39956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N6O4/c17-7-5-14(25)26-13(24)4-3-11-10(6-9-21-15(11)18)12(23)2-1-8-22-16(19)20/h6,9H,1-5,7-8,17H2,(H2,18,21)(H4,19,20,22)