methyl 3-[(2Z)-2-[[5-[(3R,4R)-4-aminocarbonyl-3-methyl-hex-1-ynyl]-3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-iodanyl-4-methyl-pyrrol-3-yl]propanoate

Systemtic Name: methyl 3-[(2Z)-2-[[5-[(3R,4R)-4-aminocarbonyl-3-methyl-hex-1-ynyl]-3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-iodanyl-4-methyl-pyrrol-3-yl]propanoate Openeye Name: methyl 3-[(2Z)-2-[[5-[(3R,4R)-4-carbamoyl-3-methyl-hex-1-ynyl]-3-(3-methoxy-3-oxo-propyl)-4-methyl-1H-pyrrol-2-yl]methylene]-5-iodo-4-methyl-pyrrol-3-yl]propanoate CAS Name: 3-[(2Z)-2-[[5-[(3R,4R)-4-carbamoyl-3-methylhex-1-ynyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-iodo-4-methyl-3-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(2Z)-2-[[5-[(3R,4R)-4-carbamoyl-3-methylhex-1-ynyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-iodo-4-methylpyrrol-3-yl]propanoate Traditional Name: 3-[(2Z)-2-[[5-[(3R,4R)-4-carbamoyl-3-methyl-hex-1-ynyl]-3-(3-keto-3-methoxy-propyl)-4-methyl-1H-pyrrol-2-yl]methylene]-5-iodo-4-methyl-pyrrol-3-yl]propionic acid methyl ester Formula: C27H34IN3O5 MolecularWeight: 607.48043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C#CC1=C(C(=C(N1)C=C2C(=C(C(=N2)I)C)CCC(=O)OC)CCC(=O)OC)C)C(=O)N

Isomeric SMILES

CC[C@H]([C@@H](C)C#CC1=C(C(=C(N1)/C=C\2/C(=C(C(=N2)I)C)CCC(=O)OC)CCC(=O)OC)C)C(=O)N

InChI

InChI=1S/C27H34IN3O5/c1-7-18(27(29)34)15(2)8-11-21-16(3)19(9-12-24(32)35-5)22(30-21)14-23-20(10-13-25(33)36-6)17(4)26(28)31-23/h14-15,18,30H,7,9-10,12-13H2,1-6H3,(H2,29,34)/b23-14-/t15-,18+/m0/s1