2-[[2-(ethoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 2-[[2-(ethoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-[[2-(ethoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[[2-(ethoxycarbonylamino)-1-oxo-3-phenylpropyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[[2-(ethoxycarbonylamino)-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[[2-(carbethoxyamino)-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

CCOC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C18H22N4O5/c1-2-27-18(26)22-14(8-12-6-4-3-5-7-12)16(23)21-15(17(24)25)9-13-10-19-11-20-13/h3-7,10-11,14-15H,2,8-9H2,1H3,(H,19,20)(H,21,23)(H,22,26)(H,24,25)