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

Systemtic Name: 2-[[3-[2,3-bis(azanyl)propanoylamino]phenyl]methyl-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[[3-(2,3-diaminopropanoylamino)phenyl]methyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[[3-[(2,3-diamino-1-oxopropyl)amino]phenyl]methyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[[3-(2,3-diaminopropanoylamino)phenyl]methyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[3-(2,3-diaminopropanoylamino)benzyl]amino]acetic acid Formula: C14H20N4O5 MolecularWeight: 324.3324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O5/c15-5-11(16)14(23)17-10-3-1-2-9(4-10)6-18(7-12(19)20)8-13(21)22/h1-4,11H,5-8,15-16H2,(H,17,23)(H,19,20)(H,21,22)