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188968-51-6

Name 2-[(2S,5R,8S,11S)-5-benzyl-11-[3-(diaminomethylideneamino)propyl]-7-methyl-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid
CAS 188968-51-6
Molecular Formula C27H40N8O7
MDL Number MFCD04307743
Molecular Weight 588.662
MOL File 188968-51-6.mol
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Chemical Properties

density  1.41±0.1 g/cm3(Predicted)
storage temp.  -20°C
solubility  ≥29.43 mg/mL in DMSO; ≥22.56 mg/mL in H2O
form  powder
pka 4.01±0.10(Predicted)
color  white to beige
Water Solubility  Soluble to 10 mg/ml in water
InChIKey AMLYAMJWYAIXIA-MAVOJUFWNA-N
SMILES N1(C)[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC2C=CC=CC=2)C1=O |&1:2,9,24,32,r|

Safety Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H315-H319
Precautionary statements  P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

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