3-[[(2-azanylethanoylamino)-phenyl-methyl]-oxidanyl-phosphoryl]propanoic acid hydrochloride

Systemtic Name: 3-[[(2-azanylethanoylamino)-phenyl-methyl]-oxidanyl-phosphoryl]propanoic acid hydrochloride Openeye Name: 3-[[[(2-aminoacetyl)amino]-phenyl-methyl]-hydroxy-phosphoryl]propanoic acid hydrochloride CAS Name: 3-[[[(2-amino-1-oxoethyl)amino]-phenylmethyl]-hydroxyphosphoryl]propanoic acid hydrochloride IUPAC Name: 3-[[[(2-aminoacetyl)amino]-phenylmethyl]-hydroxyphosphoryl]propanoic acid hydrochloride Traditional Name: 3-[[(glycylamino)-phenyl-methyl]-hydroxy-phosphoryl]propionic acid hydrochloride Formula: C12H18ClN2O5P MolecularWeight: 336.708481

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(NC(=O)CN)P(=O)(CCC(=O)O)O.Cl

Isomeric SMILES

C1=CC=C(C=C1)C(NC(=O)CN)P(=O)(CCC(=O)O)O.Cl

InChI

InChI=1S/C12H17N2O5P.ClH/c13-8-10(15)14-12(9-4-2-1-3-5-9)20(18,19)7-6-11(16)17;/h1-5,12H,6-8,13H2,(H,14,15)(H,16,17)(H,18,19);1H