3-(1,3-benzothiazol-2-yl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate Openeye Name: 3-(1,3-benzothiazol-2-yl)-3-[[(2S)-2-(isopropoxycarbonylamino)-3-methyl-butanoyl]amino]propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)-3-[[(2S)-3-methyl-1-oxo-2-[[oxo(propan-2-yloxy)methyl]amino]butyl]amino]propanoate IUPAC Name: 3-(1,3-benzothiazol-2-yl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)-3-[[(2S)-2-(isopropoxycarbonylamino)-3-methyl-butanoyl]amino]propionate Formula: C19H24N3O5S- MolecularWeight: 406.47596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)[O-])C1=NC2=CC=CC=C2S1)NC(=O)OC(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)NC(CC(=O)[O-])C1=NC2=CC=CC=C2S1)NC(=O)OC(C)C

InChI

InChI=1S/C19H25N3O5S/c1-10(2)16(22-19(26)27-11(3)4)17(25)20-13(9-15(23)24)18-21-12-7-5-6-8-14(12)28-18/h5-8,10-11,13,16H,9H2,1-4H3,(H,20,25)(H,22,26)(H,23,24)/p-1/t13?,16-/m0/s1