4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[[(2,3-dihydro-4-methyl-3-oxo-1H-pyrazol-1-yl)carbonyl]amino]phenylacetyl]amino]-3,3-dimethyl-7-oxo-, monosodium salt, [2S-[2α,5α,6β(S*)]]-
CAS Registry Number®
54944-56-8
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CAS Name
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[[(2,3-dihydro-4-methyl-3-oxo-1H-pyrazol-1-yl)carbonyl]amino]phenylacetyl]amino]-3,3-dimethyl-7-oxo-, monosodium salt, [2S-[2α,5α,6β(S*)]]-Molecular Formula
C21H23N5O6S.NaCite this Page
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[[(2,3-dihydro-4-methyl-3-oxo-1H-pyrazol-1-yl)carbonyl]amino]phenylacetyl]amino]-3,3-dimethyl-7-oxo-, monosodium salt, [2S-[2α,5α,6β(S*)]]-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=54944-56-8 (retrieved ) (CAS RN: 54944-56-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C21H23N5O6S.Na/c1-10-9-25(24-15(10)27)20(32)23-12(11-7-5-4-6-8-11)16(28)22-13-17(29)26-14(19(30)31)21(2,3)33-18(13)26;/h4-9,12-14,18H,1-3H3,(H,22,28)(H,23,32)(H,24,27)(H,30,31);/t12-,13-,14+,18-;/m1./s1
InChIKey
InChIKey=IOJALOYECAAJEM-PQHQWXOMSA-N
SMILES
C(O)(=O)[C@@H]1N2[C@@]([C@H](NC([C@H](NC(=O)N3C=C(C)C(=O)N3)C4=CC=CC=C4)=O)C2=O)(SC1(C)C)[H].[Na]
Canonical SMILES
[Na].O=C(O)C1N2C(=O)C(NC(=O)C(NC(=O)N3C=C(C(=O)N3)C)C=4C=CC=CC4)C2SC1(C)C
Other Names for this Substance
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[[(2,3-dihydro-4-methyl-3-oxo-1H-pyrazol-1-yl)carbonyl]amino]phenylacetyl]amino]-3,3-dimethyl-7-oxo-, monosodium salt, [2S-[2α,5α,6β(S*)]]-
