2,3-bis(oxidanyl)propanamide; 2-[11-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4,8-bis(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanoic acid

Systemtic Name: 2,3-bis(oxidanyl)propanamide; 2-[11-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4,8-bis(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanoic acid Openeye Name: 2-[11-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4,8-bis(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid; 2,3-dihydroxypropanamide CAS Name: 2-[11-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4,8-bis(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid; 2,3-dihydroxypropanamide IUPAC Name: 2-[11-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4,8-bis(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid; 2,3-dihydroxypropanamide Traditional Name: 2-[11-[3,5-bis(trifluoromethyl)benzyl]-4,8-bis(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid; glyceramide Formula: C34H55F6N7O15 MolecularWeight: 915.828819

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCCN(CCN(C1)CC(=O)O)CC(=O)O)CC(=O)O)CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F.C(C(C(=O)N)O)O.C(C(C(=O)N)O)O.C(C(C(=O)N)O)O

Isomeric SMILES

C1CN(CCN(CCCN(CCN(C1)CC(=O)O)CC(=O)O)CC(=O)O)CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F.C(C(C(=O)N)O)O.C(C(C(=O)N)O)O.C(C(C(=O)N)O)O

InChI

InChI=1S/C25H34F6N4O6.3C3H7NO3/c26-24(27,28)19-11-18(12-20(13-19)25(29,30)31)14-32-3-1-4-34(16-22(38)39)9-10-35(17-23(40)41)6-2-5-33(8-7-32)15-21(36)37;3*4-3(7)2(6)1-5/h11-13H,1-10,14-17H2,(H,36,37)(H,38,39)(H,40,41);3*2,5-6H,1H2,(H2,4,7)