methyl 3-[7,12-diethyl-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-15-[[(2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoyl]amino]-21,22-dihydroporphyrin-2-yl]propanoate

Systemtic Name: methyl 3-[7,12-diethyl-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-15-[[(2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoyl]amino]-21,22-dihydroporphyrin-2-yl]propanoate Openeye Name: methyl 3-[7,12-diethyl-18-(3-methoxy-3-oxo-propyl)-3,8,13,17-tetramethyl-15-[[(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoyl]amino]-21,22-dihydroporphyrin-2-yl]propanoate CAS Name: 3-[7,12-diethyl-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-15-[[(2S)-3,3,3-trifluoro-2-methoxy-1-oxo-2-phenylpropyl]amino]-21,22-dihydroporphyrin-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[7,12-diethyl-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-15-[[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]-21,22-dihydroporphyrin-2-yl]propanoate Traditional Name: 3-[7,12-diethyl-18-(3-keto-3-methoxy-propyl)-3,8,13,17-tetramethyl-15-[[(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoyl]amino]-21,22-dihydroporphin-2-yl]propionic acid methyl ester Formula: C46H50F3N5O6 MolecularWeight: 825.91431

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C3C(=C(C(=CC4=NC(=C(C5=NC(=CC(=C1C)N2)C(=C5C)CC)NC(=O)C(C6=CC=CC=C6)(C(F)(F)F)OC)C(=C4CCC(=O)OC)C)N3)CCC(=O)OC)C

Isomeric SMILES

CCC1=C2C=C3C(=C(C(=CC4=NC(=C(C5=NC(=CC(=C1C)N2)C(=C5C)CC)NC(=O)[C@@](C6=CC=CC=C6)(C(F)(F)F)OC)C(=C4CCC(=O)OC)C)N3)CCC(=O)OC)C

InChI

InChI=1S/C46H50F3N5O6/c1-10-29-24(3)33-22-36-30(11-2)26(5)41(52-36)43(54-44(57)45(60-9,46(47,48)49)28-15-13-12-14-16-28)42-27(6)32(18-20-40(56)59-8)38(53-42)23-37-31(17-19-39(55)58-7)25(4)34(51-37)21-35(29)50-33/h12-16,21-23,50-51H,10-11,17-20H2,1-9H3,(H,54,57)/t45-/m0/s1