2-[2-(2-azanylethanoylamino)ethanoyloxy]-3-(2-carboxyphenyl)carbonyloxy-butanedioic acid

Systemtic Name: 2-[2-(2-azanylethanoylamino)ethanoyloxy]-3-(2-carboxyphenyl)carbonyloxy-butanedioic acid Openeye Name: 2-[2-[(2-aminoacetyl)amino]acetyl]oxy-3-(2-carboxybenzoyl)oxy-butanedioic acid CAS Name: 2-[2-[(2-amino-1-oxoethyl)amino]-1-oxoethoxy]-3-[(2-carboxyphenyl)-oxomethoxy]butanedioic acid IUPAC Name: 2-[2-[(2-aminoacetyl)amino]acetyl]oxy-3-(2-carboxybenzoyl)oxybutanedioic acid Traditional Name: 2-(2-carboxybenzoyl)oxy-3-[2-(glycylamino)acetyl]oxy-succinic acid Formula: C16H16N2O11 MolecularWeight: 412.30504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)C(=O)OC(C(C(=O)O)OC(=O)CNC(=O)CN)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)C(=O)OC(C(C(=O)O)OC(=O)CNC(=O)CN)C(=O)O

InChI

InChI=1S/C16H16N2O11/c17-5-9(19)18-6-10(20)28-11(14(23)24)12(15(25)26)29-16(27)8-4-2-1-3-7(8)13(21)22/h1-4,11-12H,5-6,17H2,(H,18,19)(H,21,22)(H,23,24)(H,25,26)