(2S)-2-azanyl-5-(1,3-benzothiazol-2-ylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-(1,3-benzothiazol-2-ylamino)-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-(1,3-benzothiazol-2-ylamino)-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-(1,3-benzothiazol-2-ylamino)-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-(1,3-benzothiazol-2-ylamino)-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-(1,3-benzothiazol-2-ylamino)-5-keto-valeric acid Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C12H13N3O3S/c13-7(11(17)18)5-6-10(16)15-12-14-8-3-1-2-4-9(8)19-12/h1-4,7H,5-6,13H2,(H,17,18)(H,14,15,16)/t7-/m0/s1