Molecule ID: 71464598

IUPAC Name: (2R)-2-acetamido-3-(2-amino-8-formyl-3-oxophenoxazin-1-yl)sulfanylpropanoate

Description: The molecule is an L-alpha-amino-acid anion that is the conjugate base of grixazone A, obtained by deprotonation of the carboxy group. It is a conjugate base of a grixazone A.

SMILES: CC([O-])=N[C@@H](CSc1c2nc3cc(C=O)ccc3oc-2cc(=O)c1N)C(=O)O

SELFIES: [C][C][Branch1][C][O-1][=N][C@@H1][Branch2][Ring1][#C][C][S][C][C][=N][C][=C][C][Branch1][Ring1][C][=O][=C][C][=C][Ring1][Branch2][O][C][Ring1][N][=C][C][=Branch1][C][=O][C][=Ring1][P][N][C][=Branch1][C][=O][O]

InChI: InChI=1S/C18H15N3O6S/c1-8(23)20-11(18(25)26)7-28-17-15(19)12(24)5-14-16(17)21-10-4-9(6-22)2-3-13(10)27-14/h2-6,11H,7,19H2,1H3,(H,20,23)(H,25,26)/p-1/t11-/m0/s1

Molecular Properties:
- Polar Surface Area: 176.0 Ų
- LogP: 0.8