2-[[5-[2,3-bis(azanyl)propanoylamino]-2-oxidanyl-phenyl]methyl-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[5-[2,3-bis(azanyl)propanoylamino]-2-oxidanyl-phenyl]methyl-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[[5-(2,3-diaminopropanoylamino)-2-hydroxy-phenyl]methyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[[5-[(2,3-diamino-1-oxopropyl)amino]-2-hydroxyphenyl]methyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[[5-(2,3-diaminopropanoylamino)-2-hydroxyphenyl]methyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[5-(2,3-diaminopropanoylamino)-2-hydroxy-benzyl]amino]acetic acid Formula: C14H20N4O6 MolecularWeight: 340.3318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)C(CN)N)CN(CC(=O)O)CC(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)C(CN)N)CN(CC(=O)O)CC(=O)O)O

InChI

InChI=1S/C14H20N4O6/c15-4-10(16)14(24)17-9-1-2-11(19)8(3-9)5-18(6-12(20)21)7-13(22)23/h1-3,10,19H,4-7,15-16H2,(H,17,24)(H,20,21)(H,22,23)