[[2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-carboxyethyl)-5-methyl-hexanoyl]amino]azanium

Systemtic Name: [[2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-carboxyethyl)-5-methyl-hexanoyl]amino]azanium Openeye Name: [[2-(2-aminothiazol-4-yl)-2-(2-carboxyethyl)-5-methyl-hexanoyl]amino]ammonium CAS Name: [[2-(2-amino-4-thiazolyl)-2-(2-carboxyethyl)-5-methyl-1-oxohexyl]amino]ammonium IUPAC Name: [[2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxyethyl)-5-methylhexanoyl]amino]azanium Traditional Name: [[2-(2-aminothiazol-4-yl)-2-(2-carboxyethyl)-5-methyl-hexanoyl]amino]ammonium Formula: C13H23N4O3S+ MolecularWeight: 315.41172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CCC(=O)O)(C1=CSC(=N1)N)C(=O)N[NH3+]

Isomeric SMILES

CC(C)CCC(CCC(=O)O)(C1=CSC(=N1)N)C(=O)N[NH3+]

InChI

InChI=1S/C13H22N4O3S/c1-8(2)3-5-13(11(20)17-15,6-4-10(18)19)9-7-21-12(14)16-9/h7-8H,3-6,15H2,1-2H3,(H2,14,16)(H,17,20)(H,18,19)/p+1