426253-04-5
(4R,5S,6S)-3-[[4-[(5S)-2,5-DIHYDRO-5-METHYL-1H-PYRROL-3-YL]-2-THIAZOLYL]THIO]-6-[(1R)-1-HYDROXYETHYL]-4-METHYL-7-OXO-1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID
Name
(4R,5S,6S)-3-[[4-[(5S)-2,5-DIHYDRO-5-METHYL-1H-PYRROL-3-YL]-2-THIAZOLYL]THIO]-6-[(1R)-1-HYDROXYETHYL]-4-METHYL-7-OXO-1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID
Formula
C18 H21 N3 O4 S2
MolWeight
407.513
1Identification
【Name】
(4R,5S,6S)-3-[[4-[(5S)-2,5-DIHYDRO-5-METHYL-1H-PYRROL-3-YL]-2-THIAZOLYL]THIO]-6-[(1R)-1-HYDROXYETHYL]-4-METHYL-7-OXO-1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD16621103
【English Synonyms】
【Formula】
C18 H21 N3 O4 S2
【MolWeight】
407.513
【Inchi】
InChI=1S/C18H21N3O4S2/c1-7-4-10(5-19-7)11-6-26-18(20-11)27-15-8(2)13-12(9(3)22)16(23)21(13)14(15)17(24)25/h4,6-9,12-13,19,22H,5H2,1-3H3,(H,24,25)/t7-,8+,9+,12+,13+/m0/s1
【InChIKey】
InChIKey=XFGOMLIRJYURLQ-GOKYHWASSA-N
【SMILES】
C[C@H]1C=C(CN1)c2csc(n2)SC3=C(N4[C@H]([C@H]3C)[C@H](C4=O)[C@@H](C)O)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(4R,5S,6S)-3-[[4-[(5S)-2,5-DIHYDRO-5-METHYL-1H-PYRROL-3-YL]-2-THIAZOLYL]THIO]-6-[(1R)-1-HYDROXYETHYL]-4-METHYL-7-OXO-1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID.cml
Quick Release
2-(3-BROMOPHENYL)-2-CHLORO-N-CYCLOPENTYLACETAMIDE
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Catalog No:426253-04-5 up to kgs
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Catalog No:4816222 up to kgs
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Shanghai AOKChem Co., Limited
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