2-[(2S)-2-[[(2S)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-sulfanyl-propanoyl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[(2S)-2-[[(2S)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-sulfanyl-propanoyl]oxyethyl-trimethyl-azanium Openeye Name: 2-[(2S)-2-[[(2S)-2-amino-5-hydroxy-5-oxo-pentanoyl]amino]-3-sulfanyl-propanoyl]oxyethyl-trimethyl-ammonium CAS Name: 2-[(2S)-2-[[(2S)-2-amino-5-hydroxy-1,5-dioxopentyl]amino]-3-mercapto-1-oxopropoxy]ethyl-trimethylammonium IUPAC Name: 2-[(2S)-2-[[(2S)-2-amino-5-hydroxy-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]oxyethyl-trimethylazanium Traditional Name: 2-[(2S)-2-[[(2S)-2-amino-5-hydroxy-5-keto-pentanoyl]amino]-3-mercapto-propanoyl]oxyethyl-trimethyl-ammonium Formula: C13H26N3O5S+ MolecularWeight: 336.42764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOC(=O)C(CS)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

C[N+](C)(C)CCOC(=O)[C@@H](CS)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C13H25N3O5S/c1-16(2,3)6-7-21-13(20)10(8-22)15-12(19)9(14)4-5-11(17)18/h9-10H,4-8,14H2,1-3H3,(H2-,15,17,18,19,22)/p+1/t9-,10+/m0/s1