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

Systemtic Name: 2-azanylethanoyl 3-[2-azanyl-4-(5-azanylpentanoyl)-5-carbamimidoyl-pyridin-3-yl]propanoate Openeye Name: (2-aminoacetyl) 3-[2-amino-4-(5-aminopentanoyl)-5-carbamimidoyl-3-pyridyl]propanoate CAS Name: 3-[2-amino-4-(5-amino-1-oxopentyl)-5-carbamimidoyl-3-pyridinyl]propanoic acid (2-amino-1-oxoethyl) ester IUPAC Name: (2-aminoacetyl) 3-[2-amino-4-(5-aminopentanoyl)-5-carbamimidoylpyridin-3-yl]propanoate Traditional Name: 3-[5-amidino-2-amino-4-(5-aminopentanoyl)-3-pyridyl]propionic acid glycyl ester Formula: C16H24N6O4 MolecularWeight: 364.39956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=N1)N)CCC(=O)OC(=O)CN)C(=O)CCCCN)C(=N)N

Isomeric SMILES

C1=C(C(=C(C(=N1)N)CCC(=O)OC(=O)CN)C(=O)CCCCN)C(=N)N

InChI

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