(2S)-2-[2-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[2-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[2-(6-chloro-3-keto-1,4-benzoxazin-4-yl)acetyl]amino]-3-methyl-butyric acid Formula: C15H17ClN2O5 MolecularWeight: 340.75888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CN1C(=O)COC2=C1C=C(C=C2)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)CN1C(=O)COC2=C1C=C(C=C2)Cl

InChI

InChI=1S/C15H17ClN2O5/c1-8(2)14(15(21)22)17-12(19)6-18-10-5-9(16)3-4-11(10)23-7-13(18)20/h3-5,8,14H,6-7H2,1-2H3,(H,17,19)(H,21,22)/t14-/m0/s1