PDB CCD ID: | 1YH | ||||||||||||
Number of entries in BioLiP: | 2 | ||||||||||||
Chemical formula: | C29 H43 N5 O4 | ||||||||||||
InChI: | InChI=1S/C29H43N5O4/c1-19(30-2)27(35)32-26(20-9-4-3-5-10-20)29(37)34-17-21-11-8-15-33(21)18-24(34)28(36)31-23-14-16-38-25-13-7-6-12-22(23)25/h6-7,12-13,19-21,23-24,26,30H,3-5,8-11,14-18H2,1-2H3,(H,31,36)(H,32,35)/t19-,21+,23+,24-,26-/m0/s1 | ||||||||||||
InChIKey: | GIAUJOMDUOPYLU-XFCBJTKFSA-N | ||||||||||||
SMILES: |
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Name: | (3S,8aR)-N-((R)-chroman-4-yl)-2-((S)-2-cyclohexyl-2-((S)-2-(methylamino)propanamido)acetyl)octahydropyrrolo[1,2-a]pyrazine-3-carboxamide | ||||||||||||
ChEMBL: | CHEMBL2365533 | ||||||||||||
ZINC: | ZINC000095594116 |