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Substance Name: 21H,23H-Porphine-7-propanoic acid, 3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-17-formyl-7,8-dihydro-2,8,12-trimethyl-, (7S,8S)-
RN: 26677-12-3
InChIKey: VMMFVPSMUQFRIC-LEGJEBNJSA-N

Molecular Formula

  • C34-H34-N4-O7

Molecular Weight

  • 610.664
 
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Names and Synonyms

Synonym

  • EINECS 247-898-2

Systematic Names

  • (2S-trans)-18-Carboxy-20-(carboxymethyl)-13-ethyl-12-formyl-2,3-dihydro-3,7,17-trimethyl-8-vinyl-21H,23H-porphine-2-propionic acid
  • 21H,23H-Porphine-7-propanoic acid, 3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-17-formyl-7,8-dihydro-2,8,12-trimethyl-, (7S,8S)-

Registry Numbers

CAS Registry Number

  • 26677-12-3

Other Registry Numbers

  • 1400-87-9
  • 28848-89-7
  • 6811-51-4

System Generated Number

  • 0026677123

Structure Descriptors

InChI

1S/C34H34N4O7/c1-6-18-15(3)23-11-24-16(4)20(8-9-29(40)41)32(37-24)21(10-30(42)43)33-31(34(44)45)17(5)25(38-33)12-27-19(7-2)22(14-39)28(36-27)13-26(18)35-23/h6,11-14,16,20,35,38H,1,7-10H2,2-5H3,(H,40,41)(H,42,43)(H,44,45)/b23-11-,24-11-,25-12-,26-13-,27-12-,28-13-,32-21-,33-21-/t16-,20-/m0/s1

InChIKey

VMMFVPSMUQFRIC-LEGJEBNJSA-N

Smiles

c12[C@@H](C)[C@H](CCC(O)=O)c(c(CC(O)=O)c3[nH]c(cc4C(=C(c(n4)cc4c(c(c([nH]4)c1)C)C=C)C=O)CC)c(C)c3C(O)=O)n2