butyl (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate; (2S)-4-oxidanylpyrrolidine-2-carboxylic acid

Systemtic Name: butyl (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate; (2S)-4-oxidanylpyrrolidine-2-carboxylic acid Openeye Name: butyl (2S,3S)-2-(benzyloxycarbonylamino)-3-methyl-pentanoate; (2S)-4-hydroxypyrrolidine-2-carboxylic acid CAS Name: (2S)-4-hydroxy-2-pyrrolidinecarboxylic acid; (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid butyl ester IUPAC Name: butyl (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate; (2S)-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: (2S,3S)-2-(benzyloxycarbonylamino)-3-methyl-valeric acid butyl ester; (2S)-4-hydroxyproline Formula: C23H36N2O7 MolecularWeight: 452.54114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C(C)CC)NC(=O)OCC1=CC=CC=C1.C1C(CNC1C(=O)O)O

Isomeric SMILES

CCCCOC(=O)[C@H]([C@@H](C)CC)NC(=O)OCC1=CC=CC=C1.C1[C@H](NCC1O)C(=O)O

InChI

InChI=1S/C18H27NO4.C5H9NO3/c1-4-6-12-22-17(20)16(14(3)5-2)19-18(21)23-13-15-10-8-7-9-11-15;7-3-1-4(5(8)9)6-2-3/h7-11,14,16H,4-6,12-13H2,1-3H3,(H,19,21);3-4,6-7H,1-2H2,(H,8,9)/t14-,16-;3?,4-/m00/s1