2-[2-[carboxymethyl-[2-[2-[3-[(1Z,4Z,9Z,15Z)-18-[3-[2-[2-[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-(2-ethoxy-2-oxidanylidene-ethyl)amino]ethyl]amino]ethyl]amino]ethanoyl]hydrazinyl]-3-oxidanylidene-propyl]-8,12-diethyl-3,8,13,17-tetramethyl-22,23-dihydro-21H-porphyrin-2-yl]propanoyl]hydrazinyl]-2-oxidanylidene-ethyl]amino]ethyl-[2-[carboxymethyl-(2-ethoxy-2-oxidanylidene-ethyl)amino]ethyl]amino]ethanoic acid

Systemtic Name: 2-[2-[carboxymethyl-[2-[2-[3-[(1Z,4Z,9Z,15Z)-18-[3-[2-[2-[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-(2-ethoxy-2-oxidanylidene-ethyl)amino]ethyl]amino]ethyl]amino]ethanoyl]hydrazinyl]-3-oxidanylidene-propyl]-8,12-diethyl-3,8,13,17-tetramethyl-22,23-dihydro-21H-porphyrin-2-yl]propanoyl]hydrazinyl]-2-oxidanylidene-ethyl]amino]ethyl-[2-[carboxymethyl-(2-ethoxy-2-oxidanylidene-ethyl)amino]ethyl]amino]ethanoic acid Openeye Name: 2-[2-[carboxymethyl-[2-[2-[3-[(1Z,4Z,9Z,15Z)-18-[3-[2-[2-[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-(2-ethoxy-2-oxo-ethyl)amino]ethyl]amino]ethyl]amino]acetyl]hydrazino]-3-oxo-propyl]-8,12-diethyl-3,8,13,17-tetramethyl-22,23-dihydro-21H-porphyrin-2-yl]propanoyl]hydrazino]-2-oxo-ethyl]amino]ethyl-[2-[carboxymethyl-(2-ethoxy-2-oxo-ethyl)amino]ethyl]amino]acetic acid CAS Name: 2-[2-[carboxymethyl-[2-[[3-[(1Z,4Z,9Z,15Z)-18-[3-[[2-[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]ethyl]amino]ethyl]amino]-1-oxoethyl]hydrazo]-3-oxopropyl]-8,12-diethyl-3,8,13,17-tetramethyl-22,23-dihydro-21H-porphyrin-2-yl]-1-oxopropyl]hydrazo]-2-oxoethyl]amino]ethyl-[2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]ethyl]amino]acetic acid IUPAC Name: 2-[2-[carboxymethyl-[2-[2-[3-[(1Z,4Z,9Z,15Z)-18-[3-[2-[2-[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]ethyl]amino]ethyl]amino]acetyl]hydrazinyl]-3-oxopropyl]-8,12-diethyl-3,8,13,17-tetramethyl-22,23-dihydro-21H-porphyrin-2-yl]propanoyl]hydrazinyl]-2-oxoethyl]amino]ethyl-[2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]ethyl]amino]acetic acid Traditional Name: 2-[2-[carboxymethyl-[2-[N'-[3-[(1Z,4Z,9Z,15Z)-18-[3-[N'-[2-[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-(2-ethoxy-2-keto-ethyl)amino]ethyl]amino]ethyl]amino]acetyl]hydrazino]-3-keto-propyl]-8,12-diethyl-3,8,13,17-tetramethyl-22,23-dihydro-21H-porphin-2-yl]propanoyl]hydrazino]-2-keto-ethyl]amino]ethyl-[2-[carboxymethyl-(2-ethoxy-2-keto-ethyl)amino]ethyl]amino]acetic acid Formula: C66H94N14O20 MolecularWeight: 1403.53436

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C3C(C=C(N3)C=C4C(=C(C(=CC5=NC(=CC(=C1C)N2)C(=C5CCC(=O)NNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)OCC)CC(=O)O)CC(=O)O)C)N4)CCC(=O)NNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)OCC)CC(=O)O)CC(=O)O)C)(C)CC

Isomeric SMILES

CCC1=C2/C=C\3/C(C=C(N3)/C=C\4/C(=C(/C(=C/C5=N/C(=C\C(=C1C)N2)/C(=C5CCC(=O)NNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)OCC)CC(=O)O)CC(=O)O)C)/N4)CCC(=O)NNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)OCC)CC(=O)O)CC(=O)O)C)(C)CC

InChI

InChI=1S/C66H94N14O20/c1-9-44-40(5)48-26-49-42(7)46(14-16-55(82)72-74-57(84)31-78(35-61(91)92)22-18-76(33-59(87)88)20-24-80(37-63(95)96)39-65(98)100-12-4)51(69-49)27-50-45(41(6)47(68-50)25-43-29-66(8,10-2)53(67-43)28-52(44)70-48)13-15-54(81)71-73-56(83)30-77(34-60(89)90)21-17-75(32-58(85)86)19-23-79(36-62(93)94)38-64(97)99-11-3/h25-29,67-68,70H,9-24,30-39H2,1-8H3,(H,71,81)(H,72,82)(H,73,83)(H,74,84)(H,85,86)(H,87,88)(H,89,90)(H,91,92)(H,93,94)(H,95,96)/b47-25-,49-26-,50-27-,53-28-