508234-94-4
N-BIOTINYL-N'-(N-BOC-S-TRITYL)CYSTEINYL ETHYLENEDIAMINE
Name
N-BIOTINYL-N'-(N-BOC-S-TRITYL)CYSTEINYL ETHYLENEDIAMINE
Formula
C39 H49 N5 O5 S2
MolWeight
731.978
1Identification
【Name】
N-BIOTINYL-N'-(N-BOC-S-TRITYL)CYSTEINYL ETHYLENEDIAMINE
【CAS】
【MDL】
MFCD09840106
【English Synonyms】
【Formula】
C39 H49 N5 O5 S2
【MolWeight】
731.978
【Inchi】
InChI=1S/C39H49N5O5S2/c1-38(2,3)49-37(48)43-31(35(46)41-24-23-40-33(45)22-14-13-21-32-34-30(25-50-32)42-36(47)44-34)26-51-39(27-15-7-4-8-16-27,28-17-9-5-10-18-28)29-19-11-6-12-20-29/h4-12,15-20,30-32,34H,13-14,21-26H2,1-3H3,(H,40,45)(H,41,46)(H,43,48)(H2,42,44,47)/t30-,31-,32-,34-/m0/s1
【InChIKey】
InChIKey=YNCRGAOYSJBHNS-SUGCFTRWSA-N
【SMILES】
CC(C)(C)OC(=O)N[C@@H](CSC(c1ccccc1)(c2ccccc2)c3ccccc3)C(=O)NCCNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:10
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-BIOTINYL-N'-(N-BOC-S-TRITYL)CYSTEINYL ETHYLENEDIAMINE.cml
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