Molecules/3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,1 2,18-tetrayl]tetrapropanoic acid
3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,1 2,18-tetrayl]tetrapropanoic acid
3-[(1Z,2S,3S,4Z,15Z,17S,18S,19R)-8,12,17-tris(2-carboxyethyl)-3,7,13,18-tetrakis(carboxymethyl)-3,18-dimethyl-2,10,17,19,21,22,23,24-octahydroporphyrin-2-yl]propanoic acid
Molecular Identity
3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,1 2,18-tetrayl]tetrapropanoic acid
3-[(1Z,2S,3S,4Z,15Z,17S,18S,19R)-8,12,17-tris(2-carboxyethyl)-3,7,13,18-tetrakis(carboxymethyl)-3,18-dimethyl-2,10,17,19,21,22,23,24-octahydroporphyrin-2-yl]propanoic acid
PubChem CID: 145994395
2D Structure
Properties
C42H50N4O16
Molecular Formula
866.90
Molecular Weight
g/mol
866.3222
Exact Mass
Da
0.6
XLogP
Drug-like (Lipinski: < 5)
354
TPSA
May have limited oral absorption
12
H-Bond Donors
18
H-Bond Acceptors
1910
Complexity
SMILES
Canonical SMILES
SMILES: CC1(C2C=C3C(C(C(=CC4=C(C(=C(N4)CC5=C(C(=C(N5)C=C(C1CCC(=O)O)N2)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)N3)(C)CC(=O)O)CCC(=O)O)CC(=O)OIsomeric SMILES
SMILES: C[C@]1([C@H]2/C=C\3/[C@H]([C@](/C(=C/C4=C(C(=C(N4)CC5=C(C(=C(N5)/C=C(/[C@H]1CCC(=O)O)\N2)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)/N3)(C)CC(=O)O)CCC(=O)O)CC(=O)OSynonyms(2)
3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,1 2,18-tetrayl]tetrapropanoic acidPQ2
Data from PubChem (NCBI)
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Molecular Structure
3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,1 2,18-tetrayl]tetrapropanoic acid
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Drug Network
Trials and conditions connected to 3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,1 2,18-tetrayl]tetrapropanoic acid
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