2-Benzyl-1-[(1S)-1-carboxy-2-methyl-2-sulfanylpropyl]-1H-imidazole-4-carboxylic acid | CAS No. 90962-63-3

2-Benzyl-1-[(1S)-1-carboxy-2-methyl-2-sulfanylpropyl]-1H-imidazole-4-carboxylic acid

Basic Information

CAS Number

90962-63-3

Molecular Formula

C16H18N2O4S

Molecular Weight

334.4 g/mol

AD

Basic Physical Properties

CC(C)(S)[C@H](C(O)=O)N1C=C(N=C1CC1C=CC=CC=1)C(O)=O

InChI

InChI=1S/C16H18N2O4S/c1-16(2,23)13(15(21)22)18-9-11(14(19)20)17-12(18)8-10-6-4-3-5-7-10/h3-7,9,13,23H,8H2,1-2H3,(H,19,20)(H,21,22)/t13-/m0/s1

InChIKey

QLTUFLACBYWAET-ZDUSSCGKSA-N

LogP

2.5061999999999998

Topological Polar Surface Area

92.41999999999999 Ų

Hydrogen Bond Donor/Acceptor

2 / 6

Synonyms & References

English

  • Benzylpenicillin Impurity 16
  • 1H-Imidazole-1-acetic acid, 4-carboxy-α-(1-mercapto-1-methylethyl)-2-(phenylmethyl)-, (αS)-
  • Isopenillic Acid
  • Isopenillic acidQ: What is Isopenillic acid Q: What is the CAS Number of Isopenillic acid

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