methyl 2-[(2S,3S,12R,13R)-7-(2-dimethylaminoethylcarbamoyl)-17-ethanoyl-12-ethyl-2,8,13,18-tetramethyl-3-[3-oxidanylidene-3-(3-oxidanylpropylamino)propyl]-2,3,12,13,22,24-hexahydroporphyrin-5-yl]ethanoate

Systemtic Name: methyl 2-[(2S,3S,12R,13R)-7-(2-dimethylaminoethylcarbamoyl)-17-ethanoyl-12-ethyl-2,8,13,18-tetramethyl-3-[3-oxidanylidene-3-(3-oxidanylpropylamino)propyl]-2,3,12,13,22,24-hexahydroporphyrin-5-yl]ethanoate Openeye Name: methyl 2-[(2S,3S,12R,13R)-17-acetyl-7-(2-dimethylaminoethylcarbamoyl)-12-ethyl-3-[3-(3-hydroxypropylamino)-3-oxo-propyl]-2,8,13,18-tetramethyl-2,3,12,13,22,24-hexahydroporphyrin-5-yl]acetate CAS Name: 2-[(2S,3S,12R,13R)-17-acetyl-7-[(2-dimethylaminoethylamino)-oxomethyl]-12-ethyl-3-[3-(3-hydroxypropylamino)-3-oxopropyl]-2,8,13,18-tetramethyl-2,3,12,13,22,24-hexahydroporphyrin-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S,3S,12R,13R)-17-acetyl-7-(2-dimethylaminoethylcarbamoyl)-12-ethyl-3-[3-(3-hydroxypropylamino)-3-oxopropyl]-2,8,13,18-tetramethyl-2,3,12,13,22,24-hexahydroporphyrin-5-yl]acetate Traditional Name: 2-[(2S,3S,12R,13R)-17-acetyl-7-(2-dimethylaminoethylcarbamoyl)-12-ethyl-3-[3-(3-hydroxypropylamino)-3-keto-propyl]-2,8,13,18-tetramethyl-2,3,12,13,22,24-hexahydroporphin-5-yl]acetic acid methyl ester Formula: C42H57N7O6 MolecularWeight: 755.94528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C2=NC1=CC3=C(C(=C(N3)C(=C4C(C(C(=N4)C=C5C(=C(C(=C2)N5)C(=O)C)C)C)CCC(=O)NCCCO)CC(=O)OC)C(=O)NCCN(C)C)C)C

Isomeric SMILES

CC[C@@H]1[C@H](C2=NC1=CC3=C(C(=C(N3)C(=C4[C@H]([C@@H](C(=N4)C=C5C(=C(C(=C2)N5)C(=O)C)C)C)CCC(=O)NCCCO)CC(=O)OC)C(=O)NCCN(C)C)C)C

InChI

InChI=1S/C42H57N7O6/c1-10-27-22(2)30-21-35-38(26(6)51)24(4)32(46-35)19-31-23(3)28(12-13-36(52)43-14-11-17-50)40(47-31)29(18-37(53)55-9)41-39(42(54)44-15-16-49(7)8)25(5)33(48-41)20-34(27)45-30/h19-23,27-28,46,48,50H,10-18H2,1-9H3,(H,43,52)(H,44,54)/t22-,23+,27-,28+/m1/s1