S-Nitroso-N-Acetylpenicillamine
(2S)-2-acetamido-3-methyl-3-nitrososulfanylbutanoic acid
Molecular Identity
S-Nitroso-N-Acetylpenicillamine
(2S)-2-acetamido-3-methyl-3-nitrososulfanylbutanoic acid
PubChem CID: 6603945
S-nitroso-N-acetyl-D-penicillamine is a nitroso compound that is N-acetyl-D-penicillamine in which the sulfanyl hydrogen is replaced by a nitroso group. It has a role as a vasodilator agent and a nitric oxide donor. It is a nitrosothio compound and a nitroso compound. It is functionally related to a N-acetyl-D-penicillamine.
2D Structure
Properties
C7H12N2O4S
Molecular Formula
220.25
Molecular Weight
g/mol
220.0518
Exact Mass
Da
-0.3
XLogP
Drug-like (Lipinski: < 5)
121
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
254
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)NC(C(=O)O)C(C)(C)SN=OIsomeric SMILES
SMILES: CC(=O)N[C@@H](C(=O)O)C(C)(C)SN=OSynonyms(20)
79032-48-7snapS-Nitroso-N-acetylpenicillamineS-NonapN-Acetyl-S-nitrosopenicillamineS-NitrosylacetylpenicillamineDTXSID808975316E47VKF8B8D-Valine, N-acetyl-3-(nitrosothio)-SNAP (NO donor)NSC-312630RefChem:180701DTXCID101326888D-SNAPN-acetyl-3-(nitrosothio)-D-Valine
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to S-Nitroso-N-Acetylpenicillamine
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