ethyl 2-(2-azanylpropanoylamino)-3-(3-oxidanyl-4-phosphonooxy-phenyl)propanoate

Systemtic Name: ethyl 2-(2-azanylpropanoylamino)-3-(3-oxidanyl-4-phosphonooxy-phenyl)propanoate Openeye Name: ethyl 2-(2-aminopropanoylamino)-3-(3-hydroxy-4-phosphonooxy-phenyl)propanoate CAS Name: 2-[(2-amino-1-oxopropyl)amino]-3-(3-hydroxy-4-phosphonooxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-(2-aminopropanoylamino)-3-(3-hydroxy-4-phosphonooxyphenyl)propanoate Traditional Name: 2-(alanylamino)-3-(3-hydroxy-4-phosphonooxy-phenyl)propionic acid ethyl ester Formula: C14H21N2O8P MolecularWeight: 376.298901

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=C(C=C1)OP(=O)(O)O)O)NC(=O)C(C)N

Isomeric SMILES

CCOC(=O)C(CC1=CC(=C(C=C1)OP(=O)(O)O)O)NC(=O)C(C)N

InChI

InChI=1S/C14H21N2O8P/c1-3-23-14(19)10(16-13(18)8(2)15)6-9-4-5-12(11(17)7-9)24-25(20,21)22/h4-5,7-8,10,17H,3,6,15H2,1-2H3,(H,16,18)(H2,20,21,22)