1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2S)-6-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)hexanoyl]piperidine-3-carboxylic acid CAS Name: 1-[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-6-(phenylmethoxycarbonylamino)hexyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2S)-6-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)hexanoyl]nipecotic acid Formula: C25H37N3O7 MolecularWeight: 491.57718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C25H37N3O7/c1-25(2,3)35-24(33)27-20(21(29)28-15-9-12-19(16-28)22(30)31)13-7-8-14-26-23(32)34-17-18-10-5-4-6-11-18/h4-6,10-11,19-20H,7-9,12-17H2,1-3H3,(H,26,32)(H,27,33)(H,30,31)/t19?,20-/m0/s1