1-Butanaminium, N,N,N-tributyl-, salt with [2S-[2α,5α,6β(S*)]]-6-[[amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (1:1)
CAS Registry Number®
76909-19-8
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CAS Name
1-Butanaminium, N,N,N-tributyl-, salt with [2S-[2α,5α,6β(S*)]]-6-[[amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (1:1)Molecular Formula
C16H36N.C16H18N3O5SCite this Page
1-Butanaminium, N,N,N-tributyl-, salt with [2S-[2α,5α,6β(S*)]]-6-[[amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=76909-19-8 (retrieved ) (CAS RN: 76909-19-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C16H19N3O5S.C16H36N/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);5-16H2,1-4H3/q;+1/p-1/t9-,10-,11+,14-;/m1./s1
InChIKey
InChIKey=DPGUNNZQGYLDBR-YWUHCJSESA-M
SMILES
C([O-])(=O)[C@@H]1N2[C@@]([C@H](NC([C@H](N)C3=CC=C(O)C=C3)=O)C2=O)(SC1(C)C)[H].[N+](CCCC)(CCCC)(CCCC)CCCC
Canonical SMILES
O=C([O-])C1N2C(=O)C(NC(=O)C(N)C3=CC=C(O)C=C3)C2SC1(C)C.CCCC[N+](CCCC)(CCCC)CCCC
Other Names for this Substance
- 1-Butanaminium, N,N,N-tributyl-, salt with [2S-[2α,5α,6β(S*)]]-6-[[amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (1:1)
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, ion(1-), [2S-[2α,5α,6β(S*)]]-, N,N,N-tributyl-1-butanaminium
