ethoxycarbonyloxymethyl 2-(3-azanylpropanoylamino)-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: ethoxycarbonyloxymethyl 2-(3-azanylpropanoylamino)-3-(1H-imidazol-5-yl)propanoate Openeye Name: ethoxycarbonyloxymethyl 2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoate CAS Name: 2-[(3-amino-1-oxopropyl)amino]-3-(1H-imidazol-5-yl)propanoic acid ethoxycarbonyloxymethyl ester IUPAC Name: ethoxycarbonyloxymethyl 2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoate Traditional Name: 2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propionic acid carbethoxyoxymethyl ester Formula: C13H20N4O6 MolecularWeight: 328.3211

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OCOC(=O)C(CC1=CN=CN1)NC(=O)CCN

Isomeric SMILES

CCOC(=O)OCOC(=O)C(CC1=CN=CN1)NC(=O)CCN

InChI

InChI=1S/C13H20N4O6/c1-2-21-13(20)23-8-22-12(19)10(17-11(18)3-4-14)5-9-6-15-7-16-9/h6-7,10H,2-5,8,14H2,1H3,(H,15,16)(H,17,18)