tert-butyl 5-[(3R,4R)-5-azanyl-4-methyl-5-oxidanylidene-3-[(1S)-1-phenylmethoxyethyl]pent-1-ynyl]-3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 5-[(3R,4R)-5-azanyl-4-methyl-5-oxidanylidene-3-[(1S)-1-phenylmethoxyethyl]pent-1-ynyl]-3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 5-[(3R,4R)-5-amino-3-[(1S)-1-benzyloxyethyl]-4-methyl-5-oxo-pent-1-ynyl]-3-(3-methoxy-3-oxo-propyl)-4-methyl-1H-pyrrole-2-carboxylate CAS Name: 5-[(3R,4R)-5-amino-4-methyl-5-oxo-3-[(1S)-1-phenylmethoxyethyl]pent-1-ynyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(3R,4R)-5-amino-4-methyl-5-oxo-3-[(1S)-1-phenylmethoxyethyl]pent-1-ynyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate Traditional Name: 5-[(3R,4R)-5-amino-3-[(1S)-1-benzoxyethyl]-5-keto-4-methyl-pent-1-ynyl]-3-(3-keto-3-methoxy-propyl)-4-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C29H38N2O6 MolecularWeight: 510.62182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCC(=O)OC)C(=O)OC(C)(C)C)C#CC(C(C)C(=O)N)C(C)OCC2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1CCC(=O)OC)C(=O)OC(C)(C)C)C#C[C@@H]([C@@H](C)C(=O)N)[C@H](C)OCC2=CC=CC=C2

InChI

InChI=1S/C29H38N2O6/c1-18-23(14-16-25(32)35-7)26(28(34)37-29(4,5)6)31-24(18)15-13-22(19(2)27(30)33)20(3)36-17-21-11-9-8-10-12-21/h8-12,19-20,22,31H,14,16-17H2,1-7H3,(H2,30,33)/t19-,20+,22+/m1/s1