54639-48-4
(6R,7R)-3-HYDROXY-8-OXO-7-[(PHENYLACETYL)AMINO]-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID DIPHENYL METHYL ESTER

InChI=1S/C28H24N2O5S/c31-21-17-36-27-23(29-22(32)16-18-10-4-1-5-11-18)26(33)30(27)24(21)28(34)35-25(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,23,25,27,31H,16-17H2,(H,29,32)/t23-,27-/m1/s1

【InChIKey】

InChIKey=HJINVAQLVZRFTL-YIXXDRMTSA-N

【SMILES】

c1ccc(cc1)CC(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)O)C(=O)OC(c4ccccc4)c5ccccc5

【MOL File】

(6R,7R)-3-HYDROXY-8-….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:2

H bond acceptor:7

XLogP3:2.0

Bulk/Fine:FB

3Material Safety Data Sheet(MSDS)

4CML File

(6R,7R)-3-HYDROXY-8-OXO-7-[(PHENYLACETYL)AMINO]-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID DIPHENYL METHYL ESTER.cml

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54639-48-4 (6R,7R)-3-HYDROXY-8-OXO-7-[(PHENYLACETYL)AMINO]-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID DIPHENYL METHYL ESTER

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】