(17S,18S)-12-ethenyl-7-ethyl-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-20-(methylcarbamoyl)-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid

Systemtic Name: (17S,18S)-12-ethenyl-7-ethyl-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-20-(methylcarbamoyl)-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid Openeye Name: (17S,18S)-7-ethyl-18-(3-methoxy-3-oxo-propyl)-3,8,13,17-tetramethyl-20-(methylcarbamoyl)-12-vinyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid CAS Name: (17S,18S)-12-ethenyl-7-ethyl-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-20-(methylcarbamoyl)-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid IUPAC Name: (17S,18S)-12-ethenyl-7-ethyl-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-20-(methylcarbamoyl)-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid Traditional Name: (17S,18S)-7-ethyl-18-(3-keto-3-methoxy-propyl)-3,8,13,17-tetramethyl-20-(methylcarbamoyl)-12-vinyl-17,18,22,23-tetrahydroporphine-2-carboxylic acid Formula: C35H39N5O5 MolecularWeight: 609.71466

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C3C(=C(C(=N3)C(=C4C(C(C(=N4)C=C5C(=C(C(=CC(=C1C)N2)N5)C=C)C)C)CCC(=O)OC)C(=O)NC)C(=O)O)C

Isomeric SMILES

CCC1=C2C=C3C(=C(C(=N3)C(=C4[C@H]([C@@H](C(=N4)C=C5C(=C(C(=CC(=C1C)N2)N5)C=C)C)C)CCC(=O)OC)C(=O)NC)C(=O)O)C

InChI

InChI=1S/C35H39N5O5/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)45-8)32(39-25)31(34(42)36-7)33-30(35(43)44)19(6)26(40-33)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,37-38H,1,10-12H2,2-8H3,(H,36,42)(H,43,44)/t18-,22-/m0/s1