2-[[(2S)-2-azanyl-1-methoxy-4-methyl-1-oxidanylidene-pentan-3-yl]amino]-3-(1,3-benzodioxol-5-yl)propanoic acid

Systemtic Name: 2-[[(2S)-2-azanyl-1-methoxy-4-methyl-1-oxidanylidene-pentan-3-yl]amino]-3-(1,3-benzodioxol-5-yl)propanoic acid Openeye Name: 2-[[(2S)-2-amino-1-isopropyl-3-methoxy-3-oxo-propyl]amino]-3-(1,3-benzodioxol-5-yl)propanoic acid CAS Name: 2-[[(2S)-2-amino-1-methoxy-4-methyl-1-oxopentan-3-yl]amino]-3-(1,3-benzodioxol-5-yl)propanoic acid IUPAC Name: 2-[[(2S)-2-amino-1-methoxy-4-methyl-1-oxopentan-3-yl]amino]-3-(1,3-benzodioxol-5-yl)propanoic acid Traditional Name: 2-[[(2S)-2-amino-1-isopropyl-3-keto-3-methoxy-propyl]amino]-3-(1,3-benzodioxol-5-yl)propionic acid Formula: C17H24N2O6 MolecularWeight: 352.38226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C(=O)OC)N)NC(CC1=CC2=C(C=C1)OCO2)C(=O)O

Isomeric SMILES

CC(C)C([C@@H](C(=O)OC)N)NC(CC1=CC2=C(C=C1)OCO2)C(=O)O

InChI

InChI=1S/C17H24N2O6/c1-9(2)15(14(18)17(22)23-3)19-11(16(20)21)6-10-4-5-12-13(7-10)25-8-24-12/h4-5,7,9,11,14-15,19H,6,8,18H2,1-3H3,(H,20,21)/t11?,14-,15?/m0/s1