tert-butyl 5-[(3S,4S)-4-aminocarbonyl-3-methyl-hex-1-ynyl]-3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 5-[(3S,4S)-4-aminocarbonyl-3-methyl-hex-1-ynyl]-3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 5-[(3S,4S)-4-carbamoyl-3-methyl-hex-1-ynyl]-3-(3-methoxy-3-oxo-propyl)-4-methyl-1H-pyrrole-2-carboxylate CAS Name: 5-[(3S,4S)-4-carbamoyl-3-methylhex-1-ynyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(3S,4S)-4-carbamoyl-3-methylhex-1-ynyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate Traditional Name: 5-[(3S,4S)-4-carbamoyl-3-methyl-hex-1-ynyl]-3-(3-keto-3-methoxy-propyl)-4-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C#CC1=C(C(=C(N1)C(=O)OC(C)(C)C)CCC(=O)OC)C)C(=O)N

Isomeric SMILES

CC[C@@H]([C@H](C)C#CC1=C(C(=C(N1)C(=O)OC(C)(C)C)CCC(=O)OC)C)C(=O)N

InChI

InChI=1S/C22H32N2O5/c1-8-15(20(23)26)13(2)9-11-17-14(3)16(10-12-18(25)28-7)19(24-17)21(27)29-22(4,5)6/h13,15,24H,8,10,12H2,1-7H3,(H2,23,26)/t13-,15+/m1/s1