6-[bis(carboxymethyl)amino]-1,4-bis(carboxymethyl)-1,4-diazepane-6-carboxylic acid

Systemtic Name: 6-[bis(carboxymethyl)amino]-1,4-bis(carboxymethyl)-1,4-diazepane-6-carboxylic acid Openeye Name: 6-[bis(carboxymethyl)amino]-1,4-bis(carboxymethyl)-1,4-diazepane-6-carboxylic acid CAS Name: 6-[bis(carboxymethyl)amino]-1,4-bis(carboxymethyl)-1,4-diazepane-6-carboxylic acid IUPAC Name: 6-[bis(carboxymethyl)amino]-1,4-bis(carboxymethyl)-1,4-diazepane-6-carboxylic acid Traditional Name: 6-[bis(carboxymethyl)amino]-1,4-bis(carboxymethyl)-1,4-diazepane-6-carboxylic acid Formula: C14H21N3O10 MolecularWeight: 391.33064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(CN1CC(=O)O)(C(=O)O)N(CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

C1CN(CC(CN1CC(=O)O)(C(=O)O)N(CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C14H21N3O10/c18-9(19)3-15-1-2-16(4-10(20)21)8-14(7-15,13(26)27)17(5-11(22)23)6-12(24)25/h1-8H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)