methyl 2-[[6-[(2-azanylethylamino)methyl]pyridin-2-yl]carbonylamino]-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: methyl 2-[[6-[(2-azanylethylamino)methyl]pyridin-2-yl]carbonylamino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: methyl 2-[[6-[(2-aminoethylamino)methyl]pyridine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate CAS Name: 2-[[[6-[(2-aminoethylamino)methyl]-2-pyridinyl]-oxomethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[6-[(2-aminoethylamino)methyl]pyridine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: 2-[[6-[(2-aminoethylamino)methyl]picolinoyl]amino]-3-(1H-imidazol-5-yl)propionic acid methyl ester Formula: C16H22N6O3 MolecularWeight: 346.38428

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=CN1)NC(=O)C2=NC(=CC=C2)CNCCN

Isomeric SMILES

COC(=O)C(CC1=CN=CN1)NC(=O)C2=NC(=CC=C2)CNCCN

InChI

InChI=1S/C16H22N6O3/c1-25-16(24)14(7-12-9-19-10-20-12)22-15(23)13-4-2-3-11(21-13)8-18-6-5-17/h2-4,9-10,14,18H,5-8,17H2,1H3,(H,19,20)(H,22,23)