2-AAPA (CHEBI:234428)

CHEBI:234428 - 2-AAPA

Formula	C18H22N4O6S4
Net Charge	0
Average Mass	518.664
Monoisotopic Mass	518.04222
SMILES	[H][C@@](CSC(=S)Nc1ccc(NC(=S)SC[C@]([H])(/N=C(\C)O)C(=O)O)cc1)(/N=C(\C)O)C(=O)O
InChI	InChI=1S/C18H22N4O6S4/c1-9(23)19-13(15(25)26)7-31-17(29)21-11-3-5-12(6-4-11)22-18(30)32-8-14(16(27)28)20-10(2)24/h3-6,13-14H,7-8H2,1-2H3,(H,19,23)(H,20,24)(H,21,29)(H,22,30)(H,25,26)(H,27,28)/t13-,14-/m0/s1
InChIKey	HTRJZMPLPYYXIN-KBPBESRZSA-N

Roles Classification

EC 1.8.1.* (oxidoreductase acting on sulfur group of donors, NAD(+) or NADP(+) as acceptor) inhibitor An EC 1.8.* (oxidoreductase acting on sulfur group of donors) inhibitor that interferes with the action of any such enzyme using NAD⁺ or NADP⁺ as acceptor (EC 1.8.1.*).

ChEBI Ontology

Outgoing Relation(s)
	2-AAPA (CHEBI:234428) has role EC 1.8.1.* (oxidoreductase acting on sulfur group of donors, NAD⁺ or NADP⁺ as acceptor) inhibitor (CHEBI:76869)
	2-AAPA (CHEBI:234428) is a organic molecular entity (CHEBI:50860)

IUPAC Name
(2R)-2-acetamido-3-[[4-[[(2R)-2-acetamido-2-carboxyethyl]sulfanylcarbothioylamino]phenyl]carbamothioylsulfanyl]propanoic acid

Synonym	Source
2-acetylamino-3-[4-(2-acetylamino-2-carboxy-ethylsulfanylthiocarbonylamino)phenylthiocarbamoylsulfanyl]propionic acid	SUBMITTER

Citations