(2S)-2-azanyl-2-[[3,4-bis(oxidanyl)phenyl]methyl]pentanoic acid

Systemtic Name: (2S)-2-azanyl-2-[[3,4-bis(oxidanyl)phenyl]methyl]pentanoic acid Openeye Name: (2S)-2-amino-2-[(3,4-dihydroxyphenyl)methyl]pentanoic acid CAS Name: (2S)-2-amino-2-[(3,4-dihydroxyphenyl)methyl]pentanoic acid IUPAC Name: (2S)-2-amino-2-[(3,4-dihydroxyphenyl)methyl]pentanoic acid Traditional Name: (2S)-2-amino-2-protocatechuyl-valeric acid Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N

Isomeric SMILES

CCC[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)N

InChI

InChI=1S/C12H17NO4/c1-2-5-12(13,11(16)17)7-8-3-4-9(14)10(15)6-8/h3-4,6,14-15H,2,5,7,13H2,1H3,(H,16,17)/t12-/m0/s1