2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[[4-[2-[[(Z)-5-[4-(2-dimethylaminoethyloxy)phenyl]-4,5-diphenyl-pent-4-enyl]amino]ethyl]phenyl]amino]-2-oxidanylidene-ethyl]amino]ethyl]amino]ethanoic acid

Systemtic Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[[4-[2-[[(Z)-5-[4-(2-dimethylaminoethyloxy)phenyl]-4,5-diphenyl-pent-4-enyl]amino]ethyl]phenyl]amino]-2-oxidanylidene-ethyl]amino]ethyl]amino]ethanoic acid Openeye Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[4-[2-[[(Z)-5-[4-(2-dimethylaminoethyloxy)phenyl]-4,5-diphenyl-pent-4-enyl]amino]ethyl]anilino]-2-oxo-ethyl]amino]ethyl]amino]acetic acid CAS Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[4-[2-[[(Z)-5-[4-(2-dimethylaminoethyloxy)phenyl]-4,5-diphenylpent-4-enyl]amino]ethyl]anilino]-2-oxoethyl]amino]ethyl]amino]acetic acid IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[4-[2-[[(Z)-5-[4-(2-dimethylaminoethyloxy)phenyl]-4,5-diphenylpent-4-enyl]amino]ethyl]anilino]-2-oxoethyl]amino]ethyl]amino]acetic acid Traditional Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[4-[2-[[(Z)-5-[4-(2-dimethylaminoethyloxy)phenyl]-4,5-diphenyl-pent-4-enyl]amino]ethyl]anilino]-2-keto-ethyl]amino]ethyl]amino]acetic acid Formula: C49H62N6O10 MolecularWeight: 895.05078

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=CC=C(C=C1)C(=C(CCCNCCC2=CC=C(C=C2)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN(C)CCOC1=CC=C(C=C1)/C(=C(/CCCNCCC2=CC=C(C=C2)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)\C3=CC=CC=C3)/C4=CC=CC=C4

InChI

InChI=1S/C49H62N6O10/c1-52(2)30-31-65-42-21-17-40(18-22-42)49(39-12-7-4-8-13-39)43(38-10-5-3-6-11-38)14-9-24-50-25-23-37-15-19-41(20-16-37)51-44(56)32-54(34-46(59)60)28-26-53(33-45(57)58)27-29-55(35-47(61)62)36-48(63)64/h3-8,10-13,15-22,50H,9,14,23-36H2,1-2H3,(H,51,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)/b49-43-