CID 92489511

Ala-phe-pro-|ana

Structural Information

Molecular Formula
C27H30N4O3
SMILES
C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)NC3=CC4=CC=CC=C4C=C3)N
InChI
InChI=1S/C27H30N4O3/c1-18(28)25(32)30-23(16-19-8-3-2-4-9-19)27(34)31-15-7-12-24(31)26(33)29-22-14-13-20-10-5-6-11-21(20)17-22/h2-6,8-11,13-14,17-18,23-24H,7,12,15-16,28H2,1H3,(H,29,33)(H,30,32)/t18-,23-,24-/m0/s1
InChIKey
XNTZVXIZBNJULD-NWVWQQAFSA-N
Compound name
(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoyl]-N-naphthalen-2-ylpyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.23178 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.23906 211.3
[M+Na]+ 481.22100 218.6
[M+NH4]+ 476.26560 216.0
[M+K]+ 497.19494 215.5
[M-H]- 457.22450 216.2
[M+Na-2H]- 479.20645 216.1
[M]+ 458.23123 213.1
[M]- 458.23233 213.1
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.