1-[(2S)-2-(phenylmethoxycarbonylamino)butanoyl]azepane-2-carboxylic acid

Systemtic Name: 1-[(2S)-2-(phenylmethoxycarbonylamino)butanoyl]azepane-2-carboxylic acid Openeye Name: 1-[(2S)-2-(benzyloxycarbonylamino)butanoyl]azepane-2-carboxylic acid CAS Name: 1-[(2S)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]-2-azepanecarboxylic acid IUPAC Name: 1-[(2S)-2-(phenylmethoxycarbonylamino)butanoyl]azepane-2-carboxylic acid Traditional Name: 1-[(2S)-2-(benzyloxycarbonylamino)butanoyl]azepane-2-carboxylic acid Formula: C19H26N2O5 MolecularWeight: 362.42014

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCCCCC1C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC[C@@H](C(=O)N1CCCCCC1C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H26N2O5/c1-2-15(20-19(25)26-13-14-9-5-3-6-10-14)17(22)21-12-8-4-7-11-16(21)18(23)24/h3,5-6,9-10,15-16H,2,4,7-8,11-13H2,1H3,(H,20,25)(H,23,24)/t15-,16?/m0/s1