2-[4,7-bis(carboxymethyl)-10-[2-(octadecylamino)-2-oxidanylidene-ethyl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid

Systemtic Name: 2-[4,7-bis(carboxymethyl)-10-[2-(octadecylamino)-2-oxidanylidene-ethyl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid Openeye Name: 2-[4,7-bis(carboxymethyl)-10-[2-(octadecylamino)-2-oxo-ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid CAS Name: 2-[4,7-bis(carboxymethyl)-10-[2-(octadecylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid IUPAC Name: 2-[4,7-bis(carboxymethyl)-10-[2-(octadecylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Traditional Name: 2-[4,7-bis(carboxymethyl)-10-[2-keto-2-(stearylamino)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Formula: C34H65N5O7 MolecularWeight: 655.9092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C34H65N5O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35-31(40)27-36-19-21-37(28-32(41)42)23-25-39(30-34(45)46)26-24-38(22-20-36)29-33(43)44/h2-30H2,1H3,(H,35,40)(H,41,42)(H,43,44)(H,45,46)