2-azanyl-2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-phenyl-propanoic acid

Systemtic Name: 2-azanyl-2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-phenyl-propanoic acid Openeye Name: 2-amino-2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-phenyl-propanoic acid CAS Name: 2-amino-2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-phenylpropanoic acid IUPAC Name: 2-amino-2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-phenylpropanoic acid Traditional Name: 2-amino-2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-phenyl-propionic acid Formula: C17H23N3O8 MolecularWeight: 397.37982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)(N)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)(N)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C17H23N3O8/c18-17(16(27)28,8-12-4-2-1-3-5-12)20(11-15(25)26)7-6-19(9-13(21)22)10-14(23)24/h1-5H,6-11,18H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)