(2S)-2-azaniumyl-5-[4-[[(2R)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentanoate

Systemtic Name: (2S)-2-azaniumyl-5-[4-[[(2R)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentanoate Openeye Name: (2S)-2-azaniumyl-5-[4-[[(1R)-1-carboxy-2-methyl-propyl]carbamoyl]thiazol-2-yl]pentanoate CAS Name: (2S)-2-ammonio-5-[4-[[[(2R)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-oxomethyl]-2-thiazolyl]pentanoate IUPAC Name: (2S)-2-azaniumyl-5-[4-[[(2R)-1-hydroxy-3-methyl-1-oxobutan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentanoate Traditional Name: (2S)-2-ammonio-5-[4-[[(1R)-1-carboxy-2-methyl-propyl]carbamoyl]thiazol-2-yl]valerate Formula: C14H21N3O5S MolecularWeight: 343.39864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CSC(=N1)CCCC(C(=O)[O-])[NH3+]

Isomeric SMILES

CC(C)[C@H](C(=O)O)NC(=O)C1=CSC(=N1)CCC[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C14H21N3O5S/c1-7(2)11(14(21)22)17-12(18)9-6-23-10(16-9)5-3-4-8(15)13(19)20/h6-8,11H,3-5,15H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/t8-,11+/m0/s1