(2S)-6-azanyl-6-chloranyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: (2S)-6-azanyl-6-chloranyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: (2S)-6-amino-2-(benzyloxycarbonylamino)-2-tert-butoxycarbonyl-6-chloro-hexanoic acid CAS Name: (2S)-6-amino-6-chloro-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: (2S)-6-amino-6-chloro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: (2S)-6-amino-2-(benzyloxycarbonylamino)-2-tert-butoxycarbonyl-6-chloro-hexanoic acid Formula: C19H27ClN2O6 MolecularWeight: 414.88048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCCC(N)Cl)(C(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)[C@](CCCC(N)Cl)(C(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C19H27ClN2O6/c1-18(2,3)28-16(25)19(15(23)24,11-7-10-14(20)21)22-17(26)27-12-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12,21H2,1-3H3,(H,22,26)(H,23,24)/t14?,19-/m0/s1