(2S,3S)-17-ethenyl-12-ethyl-3-(3-methoxy-3-oxidanylidene-propyl)-2,8,13,18-tetramethyl-7-(methylcarbamoyl)-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-(methylcarbamoyl)-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-(methylcarbamoyl)-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-(methylcarbamoyl)-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-(methylcarbamoyl)-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-(methylcarbamoyl)-17-vinyl-2,3,23,24-tetrahydroporphine-5-carboxylic acid Formula: C35H39N5O5 MolecularWeight: 609.71466

Click to see the large picture

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)O)C(=O)NC)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)O)C(=O)NC)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(35(43)44)33-30(34(42)36-7)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