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3-[8,13,18-tris(2-carboxyethyl)-3,7,12,17-tetrakis(carboxymethyl)-7,12-dimethyl-2,8,13,19,20,22-hexahydroporphyrin-2-yl]propanoic acid

3-[8,13,18-tris(2-carboxyethyl)-3,7,12,17-tetrakis(carboxymethyl)-7,12-dimethyl-2,8,13,19,20,22-hexahydroporphyrin-2-yl]propanoic acid

Systemtic Name:3-[8,13,18-tris(2-carboxyethyl)-3,7,12,17-tetrakis(carboxymethyl)-7,12-dimethyl-2,8,13,19,20,22-hexahydroporphyrin-2-yl]propanoic acid
Openeye Name:3-[8,13,18-tris(2-carboxyethyl)-3,7,12,17-tetrakis(carboxymethyl)-7,12-dimethyl-2,8,13,19,20,22-hexahydroporphyrin-2-yl]propanoic acid
CAS Name:3-[8,13,18-tris(2-carboxyethyl)-3,7,12,17-tetrakis(carboxymethyl)-7,12-dimethyl-2,8,13,19,20,22-hexahydroporphyrin-2-yl]propanoic acid
IUPAC Name:3-[8,13,18-tris(2-carboxyethyl)-3,7,12,17-tetrakis(carboxymethyl)-7,12-dimethyl-2,8,13,19,20,22-hexahydroporphyrin-2-yl]propanoic acid
Traditional Name:3-[8,13,18-tris(2-carboxyethyl)-3,7,12,17-tetrakis(carboxymethyl)-7,12-dimethyl-2,8,13,19,20,22-hexahydroporphin-2-yl]propionic acid
Formula: C42H48N4O16
MolecularWeight: 864.84772
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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C2=CC3=NC(=CC4=NC(CC5=NC(=C(C5CCC(=O)O)CC(=O)O)C=C1N2)C(=C4CC(=O)O)CCC(=O)O)C(C3(C)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O


Isomeric SMILES

CC1(C(C2=CC3=NC(=CC4=NC(CC5=NC(=C(C5CCC(=O)O)CC(=O)O)C=C1N2)C(=C4CC(=O)O)CCC(=O)O)C(C3(C)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O


InChI

InChI=1S/C42H48N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h14-16,20,23-25,46H,3-13,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)


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Name: 3-[8,13,18-tris(2-carboxyethyl)-3,7,12,17-tetrakis(carboxymethyl)-7,12-dimethyl-2,8,13,19,20,22-hexahydroporphyrin-2-yl]propanoic acid

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