1YH/PRD_001141

(3S,8aR)-N-((R)-chroman-4-yl)-2-((S)-2-cyclohexyl-2-((S)-2-(methylamino)propanamido)acetyl)octahydropyrrolo[1,2-a]pyrazine-3-carboxamide

1YH/PRD_001141 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 4LGU.

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Chemical Component Summary

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
Identifiers(3S,8aR)-2-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]ethanoyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide
FormulaC29 H43 N5 O4
Molecular Weight525.683
TypePEPTIDE-LIKE
Isomeric SMILESC[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3CCCN3C[C@H]2C(=O)N[C@@H]4CCOc5c4cccc5)NC
InChIInChI=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
InChIKeyGIAUJOMDUOPYLU-XFCBJTKFSA-N
CompositionPolymer Sequences: MAA-CHG-1Y4-1XY
BIRD classANTAGONIST
Represented AsSINGLE MOLECULE
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count81
Chiral Atom Count5
Bond Count85
Aromatic Bond Count6

Related Resource References

Resource NameReference
Pharos CHEMBL2365533
PubChem 50913340
ChEMBL CHEMBL2365533