Catalog Number:
AG00DF3Z
Chemical Name:
21H,23H-Porphine-7-propanoic acid, 3-carboxy-13-ethenyl-18-ethyl-7,8-dihydro-2,5,8,12,17-pentamethyl-, (7s,8s)-
CAS Number:
550-52-7
Molecular Formula:
C33H36N4O4
Molecular Weight:
552.6633
MDL Number:
MFCD10566749
IUPAC Name:
(17S,18S)-18-(2-carboxyethyl)-12-ethenyl-7-ethyl-3,8,13,17,20-pentamethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
InChI:
InChI=1S/C33H36N4O4/c1-8-20-15(3)23-12-25-17(5)22(10-11-29(38)39)31(36-25)19(7)32-30(33(40)41)18(6)26(37-32)14-28-21(9-2)16(4)24(35-28)13-27(20)34-23/h8,12-14,17,22,34-35H,1,9-11H2,2-7H3,(H,38,39)(H,40,41)/t17-,22-/m0/s1
InChI Key:
AKQWLZLQQVVKCI-JTSKRJEESA-N
SMILES:
CCC1=C(C)C2=N/C/1=C\c1[nH]c(c(c1C)C(=O)O)/C(=C/1\N=C(/C=c/3\[nH]/c(=C\2)/c(C=C)c3C)[C@H]([C@@H]1CCC(=O)O)C)/C
