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piperacillin

PropertiesImage
MNX_IDMNXM160254 Image of MNXM160254
referencechebi:8232
formulaC23H27N5O7S
global charge0
mol weight517.564
InChIKeyIVBHGBMCVLDMKU-GXNBUGAJSA-N
InChIInChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1
SMILESCCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)C2=CC=CC=C2)C(=O)C1=O
MNX internals
InChI (mnx)InChI=1/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1 Image of MNXM160254
SMILES (mnx)[CH3:1][CH2:4][N:26]1[CH2:10][CH2:11][N:27]([C:22](=[N:25][C@H:13]([C:12]2=[CH:8][CH:6]=[CH:5][CH:7]=[CH:9]2)[C:16](=[N:24][C@@H:14]2[C:17](=[O:30])[N:28]3[C@@H:15]([C:21](=[O:33])[OH:34])[C:23]([CH3:2])([CH3:3])[S:36][C@H:20]23)[OH:29])[OH:35])[C:19](=[O:32])[C:18]1=[O:31]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:8232
chebi:8232
IVBHGBMCVLDMKU-GXNBUGAJSA-N 		piperacillin
(2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
6beta-{(2R)-2-[(4-ethyl-2,3-dioxopiperazin-1-yl)carboxamido]-2-phenylacetamido}-2,2-dimethylpenam-3alpha-carboxylic acid
Piperacillin
Piperacillin anhydrous

kegg.drug:D08380
keggD:D08380
IVBHGBMCVLDMKU-GXNBUGAJSA-N 		Piperacillin (INN)
Peracin (TN)
hmdb:HMDB0014464
IVBHGBMCVLDMKU-GXNBUGAJSA-N 		Piperacillin
(2S,5R,6R)-6-[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
(2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
(2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
AB piperacillin
AB-piperacillin
AHP brand OF piperacillin sodium
Astrapin brand OF piperacillin sodium
Curasan brand OF piperacillin sodium
Curasan, piperacillin
Fresenius brand OF piperacillin sodium
Hexal brand OF piperacillin sodium
Lederle brand OF pipracillin sodium
Monosodium salt, piperacillin
PIPC
Peracin
Pipcil
Pipera hameln
Pipera-hameln
Piperacillin anhydrous
Piperacillin curasan
Piperacillin fresenius
Piperacillin hexal
Piperacillin monosodium salt
Piperacillin ratiopharm
Piperacillin sodium
Piperacillin-ratiopharm
Pipercillin
Pipracil
Pipril
Ratiopharm brand OF piperacillin sodium
Salt, piperacillin monosodium
Sodium, piperacillin
Wyeth brand OF piperacillin sodium
piperacillin

sabiork.compound:20615
sabiorkM:20615
kegg.compound:C14034
keggC:C14034
IVBHGBMCVLDMKU-GXNBUGAJSA-N 		Piperacillin
Piperacillin anhydrous

seed.compound:cpd09765
seedM:cpd09765
IVBHGBMCVLDMKU-GXNBUGAJSA-M 		Piperacillin
Piperacillin anhydrous
piperacillin

metacyc.compound:CPD-19952
metacycM:CPD-19952
IVBHGBMCVLDMKU-GXNBUGAJSA-N 		piperacillin

CHEBI:52433
chebi:52433
IVBHGBMCVLDMKU-GXNBUGAJSA-M 		piperacillin(1-)
6beta-{(2R)-2-[(4-ethyl-2,3-dioxopiperazin-1-yl)carboxamido]-2-phenylacetamido}-2,2-dimethylpenam-3alpha-carboxylate

hmdb:HMDB14464
chebi:472443
chebi:475140
chebi:505944
keggC:M_C14034
keggD:M_D08380
seedM:M_cpd09765 		secondary/obsolete/fantasy identifier