2-azanylethanoyl 3-[2-azanyl-4-(6-azanylhexanoyl)-5-carbamimidoyl-pyridin-3-yl]propanoate

Systemtic Name: 2-azanylethanoyl 3-[2-azanyl-4-(6-azanylhexanoyl)-5-carbamimidoyl-pyridin-3-yl]propanoate Openeye Name: (2-aminoacetyl) 3-[2-amino-4-(6-aminohexanoyl)-5-carbamimidoyl-3-pyridyl]propanoate CAS Name: 3-[2-amino-4-(6-amino-1-oxohexyl)-5-carbamimidoyl-3-pyridinyl]propanoic acid (2-amino-1-oxoethyl) ester IUPAC Name: (2-aminoacetyl) 3-[2-amino-4-(6-aminohexanoyl)-5-carbamimidoylpyridin-3-yl]propanoate Traditional Name: 3-[5-amidino-2-amino-4-(6-aminohexanoyl)-3-pyridyl]propionic acid glycyl ester Formula: C17H26N6O4 MolecularWeight: 378.42614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N6O4/c18-7-3-1-2-4-12(24)15-10(5-6-13(25)27-14(26)8-19)17(22)23-9-11(15)16(20)21/h9H,1-8,18-19H2,(H3,20,21)(H2,22,23)