CID 10672553

L-valine, n-[[(1s,2r,3r)-2-[[(2s,3s)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxycyclopentyl]acetyl]-, methyl ester

Structural Information

Molecular Formula
C24H43N3O7
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H]1[C@@H](CC[C@H]1O)CC(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)OC(C)(C)C
InChI
InChI=1S/C24H43N3O7/c1-9-14(4)19(27-23(32)34-24(5,6)7)21(30)26-20-15(10-11-16(20)28)12-17(29)25-18(13(2)3)22(31)33-8/h13-16,18-20,28H,9-12H2,1-8H3,(H,25,29)(H,26,30)(H,27,32)/t14-,15-,16+,18-,19-,20+/m0/s1
InChIKey
SAPCTEOJHRNDHD-JFVPRCSHSA-N
Compound name
methyl (2S)-2-[[2-[(1S,2R,3R)-3-hydroxy-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]cyclopentyl]acetyl]amino]-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.3101 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.31738 220.1
[M+Na]+ 508.29932 234.7
[M-H]- 484.30282 231.5
[M+NH4]+ 503.34392 231.8
[M+K]+ 524.27326 229.0
[M+H-H2O]+ 468.30736 212.6
[M+HCOO]- 530.30830 216.6
[M+CH3COO]- 544.32395 247.3
[M+Na-2H]- 506.28477 208.8
[M]+ 485.30955 215.1
[M]- 485.31065 215.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.