Grixazone A

AlkaPlorer ID: AK025375

Synonym: None

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

Structure

SMILES: CC(O)=N[C@@H](CSC1=C(N)C(=O)C=C2OC3=CC=C(C=O)C=C3N=C21)C(=O)O

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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)/t11-/m0/s1

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InChIKey: CBXHEDPBKOZZSI-NSHDSACASA-N

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Source

Properties Information

Molecule Weight: 401.40000000000015

TPSA: 156.08

MolLogP: 2.2092

Number of H-Donors: 3

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT002746 CC(=O)N[C@@H](CS)C(=O)O.Nc1cc(C=O)ccc1O.Nc1cc(C=O)ccc1O>>CC(=O)N[C@@H](CSc1c2nc3cc(C=O)ccc3oc-2cc(=O)c1N)C(=O)O RXN-13868
AKRT002757 CC(=O)N[C@@H](CSc1c2nc3cc(C=O)ccc3oc-2cc(=O)c1N)C(=O)O>>CC(=O)N[C@@H](CSc1c2nc3cc(C(=O)O)ccc3oc-2cc(=O)c1N)C(=O)O RXN-13869