1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[(2-aminoethyl)thio]-6-[(1R)-1-hydroxyethyl]-7-oxo-, (4-nitrophenyl)methyl ester, hydrochloride (1:1), (5R,6S)-

CAS Registry Number®

442847-69-0

CAS Name

1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[(2-aminoethyl)thio]-6-[(1R)-1-hydroxyethyl]-7-oxo-, (4-nitrophenyl)methyl ester, hydrochloride (1:1), (5R,6S)-

Molecular Formula

C18H21N3O6S.ClH

Molecular Mass

443.90

Cite this Page

1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[(2-aminoethyl)thio]-6-[(1R)-1-hydroxyethyl]-7-oxo-, (4-nitrophenyl)methyl ester, hydrochloride (1:1), (5R,6S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=442847-69-0 (retrieved 2025-03-28) (CAS RN: 442847-69-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H21N3O6S.ClH/c1-10(22)15-13-8-14(28-7-6-19)16(20(13)17(15)23)18(24)27-9-11-2-4-12(5-3-11)21(25)26;/h2-5,10,13,15,22H,6-9,19H2,1H3;1H/t10-,13-,15-;/m1./s1

InChIKey

InChIKey=BCBCYQNULZNYOZ-BJUUEFAVSA-N

SMILES

C(OCC1=CC=C(N(=O)=O)C=C1)(=O)C=2N3[C@@]([C@@]([C@@H](C)O)(C3=O)[H])(CC2SCCN)[H].Cl

Canonical SMILES

Cl.O=C(OCC1=CC=C(C=C1)N(=O)=O)C2=C(SCCN)CC3N2C(=O)C3C(O)C

Other Names for this Substance

  • 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[(2-aminoethyl)thio]-6-[(1R)-1-hydroxyethyl]-7-oxo-, (4-nitrophenyl)methyl ester, hydrochloride (1:1), (5R,6S)-
  • 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[(2-aminoethyl)thio]-6-[(1R)-1-hydroxyethyl]-7-oxo-, (4-nitrophenyl)methyl ester, monohydrochloride, (5R,6S)-

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