2-[4-(3-azanylpropyl)-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid

Systemtic Name: 2-[4-(3-azanylpropyl)-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid Openeye Name: 2-[4-(3-aminopropyl)-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid CAS Name: 2-[4-(3-aminopropyl)-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid IUPAC Name: 2-[4-(3-aminopropyl)-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Traditional Name: 2-[4-(3-aminopropyl)-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Formula: C17H33N5O6 MolecularWeight: 403.47382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN(CCN1CCCN)CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

C1CN(CCN(CCN(CCN1CCCN)CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C17H33N5O6/c18-2-1-3-19-4-6-20(12-15(23)24)8-10-22(14-17(27)28)11-9-21(7-5-19)13-16(25)26/h1-14,18H2,(H,23,24)(H,25,26)(H,27,28)