InChI=1S/C45H64N8O10/c1-23(2)19-31(46)39(56)50-37(25(5)6)43(60)51-36(24(3)4)42(59)49-34(20-27-14-16-29(55)17-15-27)44(61)53-18-10-13-35(53)41(58)48-33(40(57)52-38(26(7)54)45(62)63)21-28-22-47-32-12-9-8-11-30(28)32/h8-9,11-12,14-17,22-26,31,33-38,47,54-55H,10,13,18-21,46H2,1-7H3,(H,48,58)(H,49,59)(H,50,56)(H,51,60)(H,52,57)(H,62,63)/t26-,31+,33+,34+,35+,36+,37+,38+/m1/s1

【InChIKey】

InChIKey=BXIFNVGZIMFBQB-DYDSHOKNSA-N

【SMILES】

CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)N

【MOL File】

SPINORPHIN, BOVINE.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:10

H bond acceptor:18

XLogP3:1.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

SPINORPHIN, BOVINE.cml

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137201-62-8 SPINORPHIN, BOVINE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】