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2-[(4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)amino]-6-propanoyl-benzoic acid

2-[(4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)amino]-6-propanoyl-benzoic acid

Systemtic Name:2-[(4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)amino]-6-propanoyl-benzoic acid
Openeye Name:2-[(1-carboxy-3-methyl-butyl)amino]-6-propanoyl-benzoic acid
CAS Name:2-[(1-hydroxy-4-methyl-1-oxopentan-2-yl)amino]-6-(1-oxopropyl)benzoic acid
IUPAC Name:2-[(1-hydroxy-4-methyl-1-oxopentan-2-yl)amino]-6-propanoylbenzoic acid
Traditional Name:2-[(1-carboxy-3-methyl-butyl)amino]-6-propionyl-benzoic acid
Formula: C16H21NO5
MolecularWeight: 307.34164
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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C(=CC=C1)NC(CC(C)C)C(=O)O)C(=O)O


Isomeric SMILES

CCC(=O)C1=C(C(=CC=C1)NC(CC(C)C)C(=O)O)C(=O)O


InChI

InChI=1S/C16H21NO5/c1-4-13(18)10-6-5-7-11(14(10)16(21)22)17-12(15(19)20)8-9(2)3/h5-7,9,12,17H,4,8H2,1-3H3,(H,19,20)(H,21,22)


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