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Chemistry

Mol. Mass

831.962

ALogP

-1.84

Rule of 5

No

Rule of 3

No
Details
  • SMILES: NC(=N)NCCCC[C@@H]1NC(=O)CCSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CNC4=C3C=CC=C4)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(N)=O
  • InChIKey: CZKPOZZJODAYPZ-LROMGURASA-N
    1S/C35H49N11O9S2/c36-30(51)25-18-57-56-13-10-27(47)42-22(8-3-4-11-39-35(37)38)31(52)41-17-28(48)43-23(15-29(49)50)32(53)44-24(14-19-16-40-21-7-2-1-6-20(19)21)34(55)46-12-5-9-26(46)33(54)45-25/h1-2,6-7,16,22-26,40H,3-5,8-15,17-18H2,(H2,36,51)(H,41,52)(H,42,47)(H,43,48)(H,44,53)(H,45,54)(H,49,50)(H4,37,38,39)/t22-,23-,24-,25-,26-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1174   ChEMBL
eptifibatide

NA8320J834   NCATS
eptifibatide *

Eptifibatide   Wikipedia

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