Molecule Identification Common Name 3-[18-(2-Carboxyethyl)-3,8,13,17-tetramethyl-21,22,23,24-tetrahydroporphyrin-2-yl]propanoic acid Definition Based on a literature review very few articles have been published on 3-[18-(2-Carboxyethyl)-3,8,13,17-tetramethyl-21,22,23,24-tetrahydroporphyrin-2-yl]propanoic acid. Structure CC1=C/C2=C/C3=C(C)C=C(N3)\C=C3/N\C(=C/C4=C(CCC(O)=O)C(C)=C(N4)\C=C\1/N\2)C(CCC(O)=O)=C3C InChI=1S/C30H32N4O4/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20/h9-14,31-34H,5-8H2,1-4H3,(H,35,36)(H,37,38)/b19-11-,20-12-,23-11-,24-13-,25-12-,26-13-,27-14-,28-14- Synonyms Value Source 3-[18-(2-Carboxyethyl)-3,8,13,17-tetramethyl-21,22,23,24-tetrahydroporphyrin-2-yl]propanoate Generator 3-[20-(2-Carboxyethyl)-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1,.1,.1,]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaen-4-yl]propanoate HMDB
Chemical Formula C30 H32 N4 O4 Average Molecular Weight 512.61 Monoisotopic Molecular Weight 512.242355526 IUPAC Name 3-[20-(2-carboxyethyl)-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaen-4-yl]propanoic acid Traditional Name 3-[20-(2-carboxyethyl)-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaen-4-yl]propanoic acid CAS Registry Number Not Available SMILES CC1=C/C2=C/C3=C(C)C=C(N3)\C=C3/N\C(=C/C4=C(CCC(O)=O)C(C)=C(N4)\C=C\1/N\2)C(CCC(O)=O)=C3C
InChI Identifier InChI=1S/C30H32N4O4/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20/h9-14,31-34H,5-8H2,1-4H3,(H,35,36)(H,37,38)/b19-11-,20-12-,23-11-,24-13-,25-12-,26-13-,27-14-,28-14-
InChI Key KRFBMYAPJPBBSU-LMKUSPAJSA-N 
