(2S,3S)-17-ethenyl-12-ethyl-3-(3-methoxy-3-oxidanylidene-propyl)-2,8,13,18-tetramethyl-7-(octylcarbamoyl)-2,3,23,24-tetrahydroporphyrin-5-carboxylic acid

Systemtic Name: (2S,3S)-17-ethenyl-12-ethyl-3-(3-methoxy-3-oxidanylidene-propyl)-2,8,13,18-tetramethyl-7-(octylcarbamoyl)-2,3,23,24-tetrahydroporphyrin-5-carboxylic acid Openeye Name: (2S,3S)-12-ethyl-3-(3-methoxy-3-oxo-propyl)-2,8,13,18-tetramethyl-7-(octylcarbamoyl)-17-vinyl-2,3,23,24-tetrahydroporphyrin-5-carboxylic acid CAS Name: (2S,3S)-17-ethenyl-12-ethyl-3-(3-methoxy-3-oxopropyl)-2,8,13,18-tetramethyl-7-[(octylamino)-oxomethyl]-2,3,23,24-tetrahydroporphyrin-5-carboxylic acid IUPAC Name: (2S,3S)-17-ethenyl-12-ethyl-3-(3-methoxy-3-oxopropyl)-2,8,13,18-tetramethyl-7-(octylcarbamoyl)-2,3,23,24-tetrahydroporphyrin-5-carboxylic acid Traditional Name: (2S,3S)-12-ethyl-3-(3-keto-3-methoxy-propyl)-2,8,13,18-tetramethyl-7-(octylcarbamoyl)-17-vinyl-2,3,23,24-tetrahydroporphine-5-carboxylic acid Formula: C42H53N5O5 MolecularWeight: 707.90072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=CC5=NC(=C(C1=N2)C(=O)O)C(C5C)CCC(=O)OC)N4)C)C=C)C)CC)C

Isomeric SMILES

CCCCCCCCNC(=O)C1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=CC5=NC(=C(C1=N2)C(=O)O)[C@H]([C@@H]5C)CCC(=O)OC)N4)C)C=C)C)CC)C

InChI

InChI=1S/C42H53N5O5/c1-9-12-13-14-15-16-19-43-41(49)37-26(7)33-22-35-28(11-3)24(5)31(45-35)21-34-27(10-2)23(4)30(44-34)20-32-25(6)29(17-18-36(48)52-8)39(46-32)38(42(50)51)40(37)47-33/h10,20-22,25,29,44-45H,2,9,11-19H2,1,3-8H3,(H,43,49)(H,50,51)/t25-,29-/m0/s1