3-azanylpropanoyl 3-[2-azanyl-4-(4-azanylbutanoyl)-5-carbamimidoyl-pyridin-3-yl]propanoate

Systemtic Name: 3-azanylpropanoyl 3-[2-azanyl-4-(4-azanylbutanoyl)-5-carbamimidoyl-pyridin-3-yl]propanoate Openeye Name: 3-aminopropanoyl 3-[2-amino-4-(4-aminobutanoyl)-5-carbamimidoyl-3-pyridyl]propanoate CAS Name: 3-[2-amino-4-(4-amino-1-oxobutyl)-5-carbamimidoyl-3-pyridinyl]propanoic acid (3-amino-1-oxopropyl) ester IUPAC Name: 3-aminopropanoyl 3-[2-amino-4-(4-aminobutanoyl)-5-carbamimidoylpyridin-3-yl]propanoate Traditional Name: 3-[5-amidino-2-amino-4-(4-aminobutanoyl)-3-pyridyl]propionic acid 3-aminopropanoyl ester Formula: C16H24N6O4 MolecularWeight: 364.39956

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=N1)N)CCC(=O)OC(=O)CCN)C(=O)CCCN)C(=N)N

Isomeric SMILES

C1=C(C(=C(C(=N1)N)CCC(=O)OC(=O)CCN)C(=O)CCCN)C(=N)N

InChI

InChI=1S/C16H24N6O4/c17-6-1-2-11(23)14-9(16(21)22-8-10(14)15(19)20)3-4-12(24)26-13(25)5-7-18/h8H,1-7,17-18H2,(H3,19,20)(H2,21,22)