LEUPEPTIN HEMISULFATE MONOHYDRATE

CAS No.
55123-66-5
CCD No.
CCD00092877
Formula
2 C20 H38 N6 O4 . 2 H2 O . H2 O4 S
MolWeight
987.224

Basic Information

Product Name: LEUPEPTIN HEMISULFATE MONOHYDRATE
CAS: 55123-66-5
English Synonyms: LEUPEPTIN ; LEUPEPTIN HEMISULFATE MONOHYDRATE
MDL Number.: MFCD00198027
H bond acceptor: 10
H bond donor: 6
Smile: CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C=O)NC(=O)C.CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C=O)NC(=O)C.O.O.OS(=O)(=O)O
InChi: InChI=1S/2C20H38N6O4.H2O4S.2H2O/c2*1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22;1-5(2,3)4;;/h2*11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23);(H2,1,2,3,4);2*1H2/t2*15-,16-,17-;;;/m00.../s1
InChiKey: InChIKey=FWGRMOYQEJXKOZ-XZZFGKIVSA-N

Property

Comments: SPECIFIC ROTATION: -82 +/- 6 DEG (C=2 IN H2O, 20 DEG C)

Safety information

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