Bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-[[(2S)-2-amino-1-oxopropyl]amino]-4-(1H-1,2,4-triazol-5-ylthio)-, (1R,2S,4R,5R,6R)-

CAS Registry Number®

1311385-35-9

CAS Name

Bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-[[(2S)-2-amino-1-oxopropyl]amino]-4-(1H-1,2,4-triazol-5-ylthio)-, (1R,2S,4R,5R,6R)-

Molecular Formula

C13H17N5O5S

Molecular Mass

355.37

Cite this Page

Bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-[[(2S)-2-amino-1-oxopropyl]amino]-4-(1H-1,2,4-triazol-5-ylthio)-, (1R,2S,4R,5R,6R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1311385-35-9 (retrieved 2024-11-22) (CAS RN: 1311385-35-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H17N5O5S/c1-4(14)9(19)17-13(11(22)23)2-5(24-12-15-3-16-18-12)6-7(8(6)13)10(20)21/h3-8H,2,14H2,1H3,(H,17,19)(H,20,21)(H,22,23)(H,15,16,18)/t4-,5+,6-,7-,8-,13-/m0/s1

InChIKey

InChIKey=BBGHHIUQOKQCBW-LDZWZCGGSA-N

SMILES

N(C([C@H](C)N)=O)[C@]1(C(O)=O)[C@]2([C@]([C@@H]2C(O)=O)([C@H](SC=3NC=NN3)C1)[H])[H]

Canonical SMILES

O=C(O)C1C2C(SC3=NN=CN3)CC(NC(=O)C(N)C)(C(=O)O)C12

Other Names for this Substance

  • Bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-[[(2S)-2-amino-1-oxopropyl]amino]-4-(1H-1,2,4-triazol-5-ylthio)-, (1R,2S,4R,5R,6R)-
  • (1R,2S,4R,5R,6R)-2-[((2S)-2-Aminopropanoyl)amino]-4-[(1H-1,2,4-triazol-3-yl)sulfanyl]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid

CAS INSIGHTSTM
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