1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[[(1S)-1-benzyl-2-oxo-propyl]amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-[[(1S)-1-benzyl-2-keto-propyl]amino]-2-keto-ethyl]-methyl-ammonium Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H23N3O2S/c1-15(25)18(12-16-8-4-3-5-9-16)22-20(26)13-24(2)14-21-23-17-10-6-7-11-19(17)27-21/h3-11,18H,12-14H2,1-2H3,(H,22,26)/p+1/t18-/m0/s1