2-[(8Z)-4,7-bis(carboxymethyl)-10-[(2R)-2-oxidanylpropyl]-1,4,7,10-tetrazacyclododec-8-en-1-yl]ethanoic acid

Systemtic Name: 2-[(8Z)-4,7-bis(carboxymethyl)-10-[(2R)-2-oxidanylpropyl]-1,4,7,10-tetrazacyclododec-8-en-1-yl]ethanoic acid Openeye Name: 2-[(8Z)-4,7-bis(carboxymethyl)-10-[(2R)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododec-8-en-1-yl]acetic acid CAS Name: 2-[(8Z)-4,7-bis(carboxymethyl)-10-[(2R)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododec-8-en-1-yl]acetic acid IUPAC Name: 2-[(8Z)-4,7-bis(carboxymethyl)-10-[(2R)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododec-8-en-1-yl]acetic acid Traditional Name: 2-[(8Z)-4,7-bis(carboxymethyl)-10-[(2R)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododec-8-en-1-yl]acetic acid Formula: C17H30N4O7 MolecularWeight: 402.4427

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CCN(CCN(C=C1)CC(=O)O)CC(=O)O)CC(=O)O)O

Isomeric SMILES

C[C@H](CN/1CCN(CCN(CCN(/C=C1)CC(=O)O)CC(=O)O)CC(=O)O)O

InChI

InChI=1S/C17H30N4O7/c1-14(22)10-18-2-4-19(11-15(23)24)6-8-21(13-17(27)28)9-7-20(5-3-18)12-16(25)26/h2,4,14,22H,3,5-13H2,1H3,(H,23,24)(H,25,26)(H,27,28)/b4-2-/t14-/m1/s1