methyl 3-[(5Z,8R,10Z,13R,14Z,19Z)-8,13-bis(2-methoxy-2-oxidanylidene-ethyl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-17,18-bis(oxidanyl)-7,12-bis(oxidanylidene)-1,23-dihydroporphyrin-2-yl]propanoate

Systemtic Name: methyl 3-[(5Z,8R,10Z,13R,14Z,19Z)-8,13-bis(2-methoxy-2-oxidanylidene-ethyl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-17,18-bis(oxidanyl)-7,12-bis(oxidanylidene)-1,23-dihydroporphyrin-2-yl]propanoate Openeye Name: methyl 3-[(5Z,8R,10Z,13R,14Z,19Z)-17,18-dihydroxy-8,13-bis(2-methoxy-2-oxo-ethyl)-18-(3-methoxy-3-oxo-propyl)-3,8,13,17-tetramethyl-7,12-dioxo-1,23-dihydroporphyrin-2-yl]propanoate CAS Name: 3-[(5Z,8R,10Z,13R,14Z,19Z)-17,18-dihydroxy-8,13-bis(2-methoxy-2-oxoethyl)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-7,12-dioxo-1,23-dihydroporphyrin-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[(5Z,8R,10Z,13R,14Z,19Z)-17,18-dihydroxy-8,13-bis(2-methoxy-2-oxoethyl)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-7,12-dioxo-1,23-dihydroporphyrin-2-yl]propanoate Traditional Name: 3-[(5Z,8R,10Z,13R,14Z,19Z)-17,18-dihydroxy-7,12-diketo-8,13-bis(2-keto-2-methoxy-ethyl)-18-(3-keto-3-methoxy-propyl)-3,8,13,17-tetramethyl-1,23-dihydroporphin-2-yl]propionic acid methyl ester Formula: C38H44N4O12 MolecularWeight: 748.77556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2C=C3C(C(C(=N3)C=C4C(C(=O)C(=CC5=NC(=CC1=N2)C(=O)C5(C)CC(=O)OC)N4)(C)CC(=O)OC)(C)O)(CCC(=O)OC)O)CCC(=O)OC

Isomeric SMILES

CC1=C(C2/C=C\3/C(C(C(=N3)/C=C\4/[C@@](C(=O)/C(=C/C5=N/C(=C\C1=N2)/C(=O)[C@]5(C)CC(=O)OC)/N4)(C)CC(=O)OC)(C)O)(CCC(=O)OC)O)CCC(=O)OC

InChI

InChI=1S/C38H44N4O12/c1-19-20(9-10-29(43)51-5)22-14-28-38(50,12-11-30(44)52-6)37(4,49)27(42-28)16-26-36(3,18-32(46)54-8)34(48)24(41-26)15-25-35(2,17-31(45)53-7)33(47)23(40-25)13-21(19)39-22/h13-16,22,41,49-50H,9-12,17-18H2,1-8H3/b23-13-,24-15-,26-16-,28-14-/t22?,35-,36-,37?,38?/m1/s1