4-[[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]-pentanoyl-amino]methyl]naphthalene-1-carboxylic acid

Systemtic Name: 4-[[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]-pentanoyl-amino]methyl]naphthalene-1-carboxylic acid Openeye Name: 4-[[[(1S)-1-carboxy-2-methyl-propyl]-pentanoyl-amino]methyl]naphthalene-1-carboxylic acid CAS Name: 4-[[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]-(1-oxopentyl)amino]methyl]-1-naphthalenecarboxylic acid IUPAC Name: 4-[[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]-pentanoylamino]methyl]naphthalene-1-carboxylic acid Traditional Name: 4-[[[(1S)-1-carboxy-2-methyl-propyl]-valeryl-amino]methyl]-1-naphthoic acid Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=C(C2=CC=CC=C12)C(=O)O)C(C(C)C)C(=O)O

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C2=CC=CC=C12)C(=O)O)[C@@H](C(C)C)C(=O)O

InChI

InChI=1S/C22H27NO5/c1-4-5-10-19(24)23(20(14(2)3)22(27)28)13-15-11-12-18(21(25)26)17-9-7-6-8-16(15)17/h6-9,11-12,14,20H,4-5,10,13H2,1-3H3,(H,25,26)(H,27,28)/t20-/m0/s1