(phenylmethyl) (2S)-1-[(2S,3S)-2-azanyl-3-methyl-pentanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[(2S,3S)-2-azanyl-3-methyl-pentanoyl]pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[(2S,3S)-2-amino-3-methyl-pentanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S,3S)-2-amino-3-methyl-1-oxopentyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S,3S)-2-amino-3-methyl-pentanoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCC1C(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C18H26N2O3/c1-3-13(2)16(19)17(21)20-11-7-10-15(20)18(22)23-12-14-8-5-4-6-9-14/h4-6,8-9,13,15-16H,3,7,10-12,19H2,1-2H3/t13-,15-,16-/m0/s1