Chemical Component Summary

NameBETA-SECRETASE INHIBITOR NVP-AMK640
Identifiers(4S)-4-azanyl-5-[[(2S)-1-[[(2S)-4-azanyl-1-[[(1S,2S)-4-methyl-1-oxidanyl-1-[(1R,2R)-2-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]cyclopentyl]pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid
FormulaC29 H50 N6 O10
Molecular Weight642.741
TypePEPTIDE-LIKE
Isomeric SMILESC[C@@H](C(=O)O)NC(=O)[C@@H]1CCC[C@H]1[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)N)O
InChIInChI=1S/C29H50N6O10/c1-13(2)11-19(24(39)16-7-6-8-17(16)25(40)32-15(5)29(44)45)33-27(42)20(12-21(31)36)34-28(43)23(14(3)4)35-26(41)18(30)9-10-22(37)38/h13-20,23-24,39H,6-12,30H2,1-5H3,(H2,31,36)(H,32,40)(H,33,42)(H,34,43)(H,35,41)(H,37,38)(H,44,45)/t15-,16+,17-,18-,19-,20+,23-,24-/m1/s1
InChIKeyWQVHGVDOXBCVGL-FBGOINHJSA-N
CompositionPolymer Sequences: GLU-VAL-ASN-24M-ALA
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count95
Chiral Atom Count8
Bond Count95
Aromatic Bond Count0

Related Resource References

Resource NameReference
Pharos CHEMBL191122
PubChem 5494406
ChEMBL CHEMBL191122