2-azanyl-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)-3-propanoyl-pentanedioic acid

Systemtic Name: 2-azanyl-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)-3-propanoyl-pentanedioic acid Openeye Name: 2-amino-2-(benzyloxycarbonylamino)-3-(1H-imidazol-5-yl)-3-propanoyl-pentanedioic acid CAS Name: 2-amino-3-(1H-imidazol-5-yl)-3-(1-oxopropyl)-2-(phenylmethoxycarbonylamino)pentanedioic acid IUPAC Name: 2-amino-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)-3-propanoylpentanedioic acid Traditional Name: 2-amino-2-(benzyloxycarbonylamino)-3-(1H-imidazol-5-yl)-3-propionyl-glutaric acid Formula: C19H22N4O7 MolecularWeight: 418.40058

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CC(=O)O)(C1=CN=CN1)C(C(=O)O)(N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC(=O)C(CC(=O)O)(C1=CN=CN1)C(C(=O)O)(N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H22N4O7/c1-2-14(24)18(8-15(25)26,13-9-21-11-22-13)19(20,16(27)28)23-17(29)30-10-12-6-4-3-5-7-12/h3-7,9,11H,2,8,10,20H2,1H3,(H,21,22)(H,23,29)(H,25,26)(H,27,28)