2-[3-(acetamidomethylsulfanyl)-2-azanyl-propanoyl]oxy-6-azanyl-3,4,5-tris(oxidanyl)hexanoic acid

Systemtic Name: 2-[3-(acetamidomethylsulfanyl)-2-azanyl-propanoyl]oxy-6-azanyl-3,4,5-tris(oxidanyl)hexanoic acid Openeye Name: 2-[3-(acetamidomethylsulfanyl)-2-amino-propanoyl]oxy-6-amino-3,4,5-trihydroxy-hexanoic acid CAS Name: 2-[3-(acetamidomethylthio)-2-amino-1-oxopropoxy]-6-amino-3,4,5-trihydroxyhexanoic acid IUPAC Name: 2-[3-(acetamidomethylsulfanyl)-2-aminopropanoyl]oxy-6-amino-3,4,5-trihydroxyhexanoic acid Traditional Name: 2-[3-(acetamidomethylthio)-2-amino-propanoyl]oxy-6-amino-3,4,5-trihydroxy-hexanoic acid Formula: C12H23N3O8S MolecularWeight: 369.39132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCSCC(C(=O)OC(C(C(C(CN)O)O)O)C(=O)O)N

Isomeric SMILES

CC(=O)NCSCC(C(=O)OC(C(C(C(CN)O)O)O)C(=O)O)N

InChI

InChI=1S/C12H23N3O8S/c1-5(16)15-4-24-3-6(14)12(22)23-10(11(20)21)9(19)8(18)7(17)2-13/h6-10,17-19H,2-4,13-14H2,1H3,(H,15,16)(H,20,21)