442847-69-0
(5R,6S)-4-NITROBENZYL-3-[(2-AMINOETHYL)THIO]-6-[(1R)-1-HYDROXYETHYL]-1-AZABICYCLO[3.2.0]HEPT-2-ENE-7-ONE-2-CARBOXYLATE HYDROCHLORIDE

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[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)OCc3ccc(cc3)[N+](=O)[O-])SCCN)O.Cl

【MOL File】

(5R,6S)-4-NITROBENZY….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:2

H bond acceptor:9

XLogP3:0.0

Bulk/Fine:FB

3Material Safety Data Sheet(MSDS)

4CML File

(5R,6S)-4-NITROBENZYL-3-[(2-AMINOETHYL)THIO]-6-[(1R)-1-HYDROXYETHYL]-1-AZABICYCLO[3.2.0]HEPT-2-ENE-7-ONE-2-CARBOXYLATE HYDROCHLORIDE.cml

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442847-69-0 (5R,6S)-4-NITROBENZYL-3-[(2-AMINOETHYL)THIO]-6-[(1R)-1-HYDROXYETHYL]-1-AZABICYCLO[3.2.0]HEPT-2-ENE-7-ONE-2-CARBOXYLATE HYDROCHLORIDE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】