BENZOYL-L-HISTIDINE MONOHYDRATE

CAS No.
5354-94-9 ;162757-46-2
CCD No.
CCD00710003
Formula
C13 H13 N3 O3 . H2 O
MolWeight
277.279

Basic Information

Product Name: BENZOYL-L-HISTIDINE MONOHYDRATE
CAS: 5354-94-9 ;162757-46-2
English Synonyms: N-ALPHA-BENZOYL-L-HISTIDINE HYDRATE ; BENZOYL-L-HISTIDINE MONOHYDRATE ; BZO-HIS-OH H2O
MDL Number.: MFCD09037355
H bond acceptor: 6
H bond donor: 3
Smile: c1ccc(cc1)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)O.O
InChi: InChI=1S/C13H13N3O3.H2O/c17-12(9-4-2-1-3-5-9)16-11(13(18)19)6-10-7-14-8-15-10;/h1-5,7-8,11H,6H2,(H,14,15)(H,16,17)(H,18,19);1H2/t11-;/m0./s1
InChiKey: InChIKey=PSBZDLCAFKRJDO-MERQFXBCSA-N

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