3-[(2R)-6-[(1S)-1-azanylpropyl]-2-ethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid

Systemtic Name: 3-[(2R)-6-[(1S)-1-azanylpropyl]-2-ethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: 3-[(2R)-6-[(1S)-1-aminopropyl]-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid CAS Name: 3-[(2R)-6-[(1S)-1-aminopropyl]-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: 3-[(2R)-6-[(1S)-1-aminopropyl]-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: 3-[(2R)-6-[(1S)-1-aminopropyl]-2-ethyl-3-keto-1,4-benzoxazin-4-yl]propionic acid Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C(CC)N)CCC(=O)O

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)[C@H](CC)N)CCC(=O)O

InChI

InChI=1S/C16H22N2O4/c1-3-11(17)10-5-6-14-12(9-10)18(8-7-15(19)20)16(21)13(4-2)22-14/h5-6,9,11,13H,3-4,7-8,17H2,1-2H3,(H,19,20)/t11-,13+/m0/s1