4-(4-aminophenyl)-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoic acid

Systemtic Name: 4-(4-aminophenyl)-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoic acid Openeye Name: 4-(4-aminophenyl)-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoic acid CAS Name: 4-(4-aminophenyl)-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoic acid IUPAC Name: 4-(4-aminophenyl)-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoic acid Traditional Name: 4-(4-aminophenyl)-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butyric acid Formula: C24H37N5O8 MolecularWeight: 523.57928

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)C(CCC2=CC=C(C=C2)N)C(=O)O)CC(=O)O

Isomeric SMILES

C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)C(CCC2=CC=C(C=C2)N)C(=O)O)CC(=O)O

InChI

InChI=1S/C24H37N5O8/c25-19-4-1-18(2-5-19)3-6-20(24(36)37)29-13-11-27(16-22(32)33)9-7-26(15-21(30)31)8-10-28(12-14-29)17-23(34)35/h1-2,4-5,20H,3,6-17,25H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)