(2S)-2-(6-azanylhexanoylamino)-6-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: (2S)-2-(6-azanylhexanoylamino)-6-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: (2S)-2-(6-aminohexanoylamino)-6-(benzyloxycarbonylamino)hexanoic acid CAS Name: (2S)-2-[(6-amino-1-oxohexyl)amino]-6-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: (2S)-2-(6-aminohexanoylamino)-6-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: (2S)-2-(6-aminohexanoylamino)-6-(benzyloxycarbonylamino)hexanoic acid Formula: C20H31N3O5 MolecularWeight: 393.47724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCCC(C(=O)O)NC(=O)CCCCCN

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CCCCCN

InChI

InChI=1S/C20H31N3O5/c21-13-7-2-5-12-18(24)23-17(19(25)26)11-6-8-14-22-20(27)28-15-16-9-3-1-4-10-16/h1,3-4,9-10,17H,2,5-8,11-15,21H2,(H,22,27)(H,23,24)(H,25,26)/t17-/m0/s1