cilengitide Report issue

Biologics Peptide Experimental
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

588.67

ALogP

-1.97

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(C)[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc2ccccc2)C(=O)N1C
  • InChIKey: AMLYAMJWYAIXIA-VWNVYAMZSA-N
    InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL429876   ChEMBL
cilengitide

Cilengitide   Wikipedia

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