CID 195871

Cbz-leu-leu-glu-2nnp

Structural Information

Molecular Formula
C35H44N4O7
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N(C1=CC2=CC=CC=C2C=C1)[C@@H](CCC(=O)N)C(=O)O)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C35H44N4O7/c1-22(2)18-28(38-35(45)46-21-24-10-6-5-7-11-24)32(41)37-29(19-23(3)4)33(42)39(30(34(43)44)16-17-31(36)40)27-15-14-25-12-8-9-13-26(25)20-27/h5-15,20,22-23,28-30H,16-19,21H2,1-4H3,(H2,36,40)(H,37,41)(H,38,45)(H,43,44)/t28-,29-,30-/m0/s1
InChIKey
AHSHWXJXFALINL-DTXPUJKBSA-N
Compound name
(2S)-5-amino-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]-naphthalen-2-ylamino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

632.321 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.32828 252.8
[M+Na]+ 655.31022 245.5
[M-H]- 631.31372 256.0
[M+NH4]+ 650.35482 251.0
[M+K]+ 671.28416 248.1
[M+H-H2O]+ 615.31826 242.1
[M+HCOO]- 677.31920 264.2
[M+CH3COO]- 691.33485 280.4
[M+Na-2H]- 653.29567 243.2
[M]+ 632.32045 253.7
[M]- 632.32155 253.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.