2-[bis[2-[carboxymethyl-[2-(heptylamino)-2-oxidanylidene-ethyl]amino]ethyl]amino]ethanoic acid

Systemtic Name: 2-[bis[2-[carboxymethyl-[2-(heptylamino)-2-oxidanylidene-ethyl]amino]ethyl]amino]ethanoic acid Openeye Name: 2-[bis[2-[carboxymethyl-[2-(heptylamino)-2-oxo-ethyl]amino]ethyl]amino]acetic acid CAS Name: 2-[bis[2-[carboxymethyl-[2-(heptylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid IUPAC Name: 2-[bis[2-[carboxymethyl-[2-(heptylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid Traditional Name: 2-[bis[2-[carboxymethyl-[2-(heptylamino)-2-keto-ethyl]amino]ethyl]amino]acetic acid Formula: C28H53N5O8 MolecularWeight: 587.74912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)CN(CCN(CCN(CC(=O)NCCCCCCC)CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCNC(=O)CN(CCN(CCN(CC(=O)NCCCCCCC)CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C28H53N5O8/c1-3-5-7-9-11-13-29-24(34)19-32(22-27(38)39)17-15-31(21-26(36)37)16-18-33(23-28(40)41)20-25(35)30-14-12-10-8-6-4-2/h3-23H2,1-2H3,(H,29,34)(H,30,35)(H,36,37)(H,38,39)(H,40,41)