Cuprate(3-), [(7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-17-formyl-7,8-dihydro-2,8,12-trimethyl-21H,23H-porphine-7-propanoato(5-)-κN21,κN22,κN23,κN24]-, hydrogen (1:3), (SP-4-2)-
CAS Registry Number®
28777-01-7
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CAS Name
Cuprate(3-), [(7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-17-formyl-7,8-dihydro-2,8,12-trimethyl-21H,23H-porphine-7-propanoato(5-)-κN21,κN22,κN23,κN24]-, hydrogen (1:3), (SP-4-2)-Molecular Formula
C34H29CuN4O7.3HCite this Page
Cuprate(3-), [(7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-17-formyl-7,8-dihydro-2,8,12-trimethyl-21H,23H-porphine-7-propanoato(5-)-κN21,κN22,κN23,κN24]-, hydrogen (1:3), (SP-4-2)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=28777-01-7 (retrieved ) (CAS RN: 28777-01-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C34H34N4O7.Cu/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;/h6,11-14,16,20H,1,7-10H2,2-5H3,(H5,35,36,37,38,39,40,41,42,43,44,45);/q;+2/p-2
InChIKey
InChIKey=KPXZRAAKOHDVOL-UHFFFAOYSA-L
SMILES
C(C([O-])=O)C1=C2[N-]3[Cu+2]45[N]6=C1C(CCC([O-])=O)C(C)C6=CC=7[N-]4C(C=C8[N]5=C(C=C3C(C)=C2C([O-])=O)C(CC)=C8C=O)=C(C=C)C7C.[H+]
Canonical SMILES
[H+].O=CC=1C=2C=C3C(C=C)=C(C4=CC5=[N]6C(=C(C7=C(C(=O)[O-])C(=C8C=C(C1CC)[N]2[Cu+2]6([N-]34)[N-]87)C)CC(=O)[O-])C(CCC(=O)[O-])C5C)C
Other Names for this Substance
- Cuprate(3-), [(7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-17-formyl-7,8-dihydro-2,8,12-trimethyl-21H,23H-porphine-7-propanoato(5-)-κN21,κN22,κN23,κN24]-, hydrogen (1:3), (SP-4-2)-
- Copper, [trihydrogen 18-carboxy-20-(carboxymethyl)-13-ethyl-12-formyl-2β,3-dihydro-3β,7,17-trimethyl-8-vinyl-2-porphinepropionato(2-)]-
- Cuprate(3-), [(7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-17-formyl-7,8-dihydro-2,8,12-trimethyl-21H,23H-porphine-7-propanoato(5-)-κN21,κN22,κN23,κN24]-, trihydrogen, (SP-4-2)-
