(2S)-3-methyl-2-[[(2S,3S)-3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)pentanoyl]amino]butanoate

Systemtic Name: (2S)-3-methyl-2-[[(2S,3S)-3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)pentanoyl]amino]butanoate Openeye Name: (2S)-3-methyl-2-[[(2S,3S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2S,3S)-3-methyl-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[(2S,3S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoyl]amino]butanoate Traditional Name: (2S)-2-[[(2S,3S)-2-(4-keto-1,2,3-benzotriazin-3-yl)-3-methyl-pentanoyl]amino]-3-methyl-butyrate Formula: C18H23N4O4- MolecularWeight: 359.39962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)C)C(=O)[O-])N1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)[O-])N1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C18H24N4O4/c1-5-11(4)15(16(23)19-14(10(2)3)18(25)26)22-17(24)12-8-6-7-9-13(12)20-21-22/h6-11,14-15H,5H2,1-4H3,(H,19,23)(H,25,26)/p-1/t11-,14-,15-/m0/s1