37933-92-9
CRUSTACEAN ERYTHROPHORE CONCENTRATING HORMONE
NameCRUSTACEAN ERYTHROPHORE CONCENTRATING HORMONE
1Identification
【Name】
CRUSTACEAN ERYTHROPHORE CONCENTRATING HORMONE
【CAS】
【MDL】
MFCD00076850
【English Synonyms】
【Formula】
C45 H59 N11 O11
【MolWeight】
930.027
【Inchi】
InChI=1S/C45H59N11O11/c1-24(2)17-31(52-40(62)29-14-15-37(59)50-29)41(63)54-33(20-36(46)58)43(65)53-32(18-25-9-4-3-5-10-25)42(64)55-34(23-57)45(67)56-16-8-13-35(56)44(66)49-22-38(60)51-30(39(47)61)19-26-21-48-28-12-7-6-11-27(26)28/h3-7,9-12,21,24,29-35,48,57H,8,13-20,22-23H2,1-2H3,(H2,46,58)(H2,47,61)(H,49,66)(H,50,59)(H,51,60)(H,52,62)(H,53,65)(H,54,63)(H,55,64)/t29-,30-,31-,32-,33-,34-,35-/m0/s1
【InChIKey】
InChIKey=XFGMPZRFMGBTDI-POFDKVPJSA-N
【SMILES】
CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)N)NC(=O)[C@@H]5CCC(=O)N5
【MOL File】
CRUSTACEAN ERYTHROPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:11
H bond acceptor:22
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CRUSTACEAN ERYTHROPHORE CONCENTRATING HORMONE.cml