Porphyrin c

2-amino-3-[1-[7-[1-(2-amino-2-carboxyethyl)sulfanylethyl]-13,17-bis(2-carboxyethyl)-3,8,12,18-tetramethyl-21,22-dihydroporphyrin-2-yl]ethylsulfanyl]propanoic acid

Also Known As: Porphyrin c|Porphyrinc|Heme C porphyrin ligand|J3.143.732F|2-amino-3-[1-[7-[1-(2-amino-2-carboxyethyl)sulfanylethyl]-13,17-bis(2-carboxyethyl)-3,8,12,18-tetramethyl-21,22-dihydroporphyrin-2-yl]ethylsulfanyl]propanoic acid|2,7,12,18-Tetramethyl-3,8-bis[1-[2-carboxy-2-aminoethylthio]ethyl]-21H,23H-porphyrin-13,17-bispropanoic acid|2-amino-3-[1-[7-[1-(2-amino-3-hydroxy-3-oxopropyl)sulfanylethyl]-13,17-bis(2-carboxyethyl)-3,8,12,18-tetramethyl-21,22-dihydroporphyrin-2-yl]ethylsulfanyl]propanoic acid|21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis(1-((2-amino-2-carboxyethyl)thio)ethyl)-3,8,13,17-tetramethyl-|3,3'-{[(2Z,7Z,11Z,16Z)-15,19-Bis(2-carboxyethyl)-5,10,14,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1~3,6~.1~8,11~.1~13,16~]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaene-4,9-diyl]bis[(ethane-1,1-diyl)sulfanediyl]}bis(2-aminopropanoic acid)|7,12-Bis[1-[(2-amino-2-carboxyethyl)thio]ethyl]-3,8,13,17-tetramethyl-21H,23H-porphyrin-2,18-dipropanoic acid

Molecular Formula	C40H48N6O8S2
Molecular Weight	804.2975 g/mol
LogP	-2.4
Topological Polar Surface Area	309.0 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	14
Rotatable Bonds	16
Exact Mass	804.2975
Monoisotopic Mass	804.2975
Heavy Atoms	56
Complexity	1380.0

Chemical Identifiers

CAS Number	635-50-7
SMILES	CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)SCC(C(=O)O)N)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C(C)SCC(C(=O)O)N
InChIKey	LSZWIZMWKSTIGI-UHFFFAOYSA-N