(2S)-4-(1,3-benzodioxol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Systemtic Name: (2S)-4-(1,3-benzodioxol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Openeye Name: (2S)-4-(1,3-benzodioxol-5-yl)-2-(tert-butoxycarbonylamino)butanoic acid CAS Name: (2S)-4-(1,3-benzodioxol-5-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid IUPAC Name: (2S)-4-(1,3-benzodioxol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Traditional Name: (2S)-4-(1,3-benzodioxol-5-yl)-2-(tert-butoxycarbonylamino)butyric acid Formula: C16H21NO6 MolecularWeight: 323.34104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC1=CC2=C(C=C1)OCO2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCC1=CC2=C(C=C1)OCO2)C(=O)O

InChI

InChI=1S/C16H21NO6/c1-16(2,3)23-15(20)17-11(14(18)19)6-4-10-5-7-12-13(8-10)22-9-21-12/h5,7-8,11H,4,6,9H2,1-3H3,(H,17,20)(H,18,19)/t11-/m0/s1