[(3R,5S)-1-[(2S,3S)-2-azanyl-3-methyl-pentanoyl]-5-methoxycarbonyl-pyrrolidin-3-yl] 4-ethenyl-1,3-dihydroisoindole-2-carboxylate

Systemtic Name: [(3R,5S)-1-[(2S,3S)-2-azanyl-3-methyl-pentanoyl]-5-methoxycarbonyl-pyrrolidin-3-yl] 4-ethenyl-1,3-dihydroisoindole-2-carboxylate Openeye Name: [(3R,5S)-1-[(2S,3S)-2-amino-3-methyl-pentanoyl]-5-methoxycarbonyl-pyrrolidin-3-yl] 4-vinylisoindoline-2-carboxylate CAS Name: 4-ethenyl-1,3-dihydroisoindole-2-carboxylic acid [(3R,5S)-1-[(2S,3S)-2-amino-3-methyl-1-oxopentyl]-5-methoxycarbonyl-3-pyrrolidinyl] ester IUPAC Name: [(3R,5S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]-5-methoxycarbonylpyrrolidin-3-yl] 4-ethenyl-1,3-dihydroisoindole-2-carboxylate Traditional Name: 4-vinylisoindoline-2-carboxylic acid [(3R,5S)-1-[(2S,3S)-2-amino-3-methyl-pentanoyl]-5-carbomethoxy-pyrrolidin-3-yl] ester Formula: C23H31N3O5 MolecularWeight: 429.50934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CC(CC1C(=O)OC)OC(=O)N2CC3=CC=CC(=C3C2)C=C)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)OC)OC(=O)N2CC3=CC=CC(=C3C2)C=C)N

InChI

InChI=1S/C23H31N3O5/c1-5-14(3)20(24)21(27)26-12-17(10-19(26)22(28)30-4)31-23(29)25-11-16-9-7-8-15(6-2)18(16)13-25/h6-9,14,17,19-20H,2,5,10-13,24H2,1,3-4H3/t14-,17+,19-,20-/m0/s1