CID 91872911

H-ala-ala-phe-4m-beta-na

Structural Information

Molecular Formula
C26H30N4O4
SMILES
C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC2=CC3=CC=CC=C3C(=C2)OC)N
InChI
InChI=1S/C26H30N4O4/c1-16(27)24(31)28-17(2)25(32)30-22(13-18-9-5-4-6-10-18)26(33)29-20-14-19-11-7-8-12-21(19)23(15-20)34-3/h4-12,14-17,22H,13,27H2,1-3H3,(H,28,31)(H,29,33)(H,30,32)/t16-,17-,22-/m0/s1
InChIKey
XKMKDCIHNNOCBU-HOIFWPIMSA-N
Compound name
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-N-(4-methoxynaphthalen-2-yl)-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.2267 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.23398 212.4
[M+Na]+ 485.21592 219.0
[M+NH4]+ 480.26052 216.0
[M+K]+ 501.18986 215.1
[M-H]- 461.21942 216.0
[M+Na-2H]- 483.20137 216.1
[M]+ 462.22615 213.7
[M]- 462.22725 213.7
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.