77327-45-8

Name BETA-MERCAPTO-BETA,BETA-CYCLOPENTAMETHYLENE-PROPIONYL-TYR(ME)-ILE-GLN-ASN-CYS-PRO-ORN-GLY-NH2
CAS 77327-45-8
Molecular Formula C48H74N12O12S2
MDL Number MFCD00135712
Molecular Weight 1075.3
MOL File 77327-45-8.mol

Chemical Properties

Boiling point  1537.6±65.0 °C(Predicted)
density  1.36±0.1 g/cm3(Predicted)
storage temp.  −20°C
form  solid
pka 12.85±0.70(Predicted)
Sequence {β-Mercapto-β,β-cyclopentamethylene-propionyl-Tyr(Me)}-Ile-Gln-Asn-Cys-Pro-{Orn}-Gly-NH2 (disulfide bridge: mercaptopropanoic acid-1-cysteine-6)
InChIKey ZWVZXPFUQHTUKV-SZQHDTAUSA-N
SMILES CC[C@H](C)C1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC3(CCCCC3)SSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O

Safety Data

Safety Statements 
WGK Germany  3
Storage Class 11 - Combustible Solids

Hazard Information

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