(Q27140562)

grixazone A (English)

7 October 2016

chemical formula

C₁₈H₁₄N₃O₆S⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(=O)NC(CSC1=C(C(=O)C=C2C1=NC3=C(O2)C=CC(=C3)C=O)N)C(=O)[O-]

1 reference

grixazone A (English)

7 October 2016

isomeric SMILES

CC(=O)N[C@@H](CSC1=C(C(=O)C=C2C1=NC3=C(O2)C=CC(=C3)C=O)N)C(=O)[O-]

1 reference

grixazone A (English)

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

7 October 2016

Identifiers

InChI

1 reference

grixazone A (English)

CBXHEDPBKOZZSI-NSHDSACASA-M

7 October 2016

InChIKey

2 references

grixazone A (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2R)-2-Acetamido-3-[(2-amino-8-formyl-3-oxo-3H-phenoxazin-1-yl)sulfanyl]propanoate (English)

7 October 2016

2 references

grixazone A (English)

matched by identifier from

7 October 2016

InChIKey

CBXHEDPBKOZZSI-NSHDSACASA-M

ChEBI ID

73482

mapping relation type

2 references

grixazone A(1-) (English)