(2S)-2-azanyl-5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-keto-5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]valeric acid Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(C(=O)O)N

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C13H15N3O4S/c1-20-7-2-4-9-10(6-7)21-13(15-9)16-11(17)5-3-8(14)12(18)19/h2,4,6,8H,3,5,14H2,1H3,(H,18,19)(H,15,16,17)/t8-/m0/s1