CID 122165

Nprhn-(2s,3s)-teps-ile-pro-oh

Structural Information

Molecular Formula
C18H29N3O6
SMILES
CCCNC(=O)[C@@H]1C(O1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)O
InChI
InChI=1S/C18H29N3O6/c1-4-8-19-15(22)13-14(27-13)16(23)20-12(10(3)5-2)17(24)21-9-6-7-11(21)18(25)26/h10-14H,4-9H2,1-3H3,(H,19,22)(H,20,23)(H,25,26)/t10-,11-,12-,13-,14?/m0/s1
InChIKey
ZEZGJKSEBRELAS-KSFNBINOSA-N
Compound name
(2S)-1-[(2S,3S)-3-methyl-2-[[(3S)-3-(propylcarbamoyl)oxirane-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

78
References

84
Patents

383.20563 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.21291 187.8
[M+Na]+ 406.19485 191.4
[M+NH4]+ 401.23945 190.0
[M+K]+ 422.16879 195.0
[M-H]- 382.19835 193.4
[M+Na-2H]- 404.18030 187.5
[M]+ 383.20508 190.0
[M]- 383.20618 190.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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