CID 485266

Y-r-g-p-g

Structural Information

Molecular Formula
C24H36N8O6
SMILES
C1C[C@H](N(C1)C(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N)C(=O)NCC=O
InChI
InChI=1S/C24H36N8O6/c25-17(13-15-5-7-16(34)8-6-15)21(36)31-18(3-1-9-29-24(26)27)22(37)30-14-20(35)32-11-2-4-19(32)23(38)28-10-12-33/h5-8,12,17-19,34H,1-4,9-11,13-14,25H2,(H,28,38)(H,30,37)(H,31,36)(H4,26,27,29)/t17-,18-,19-/m0/s1
InChIKey
VSNSKOHCJKKZGJ-FHWLQOOXSA-N
Compound name
(2S)-1-[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]-N-(2-oxoethyl)pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.27576 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.28304 220.6
[M+Na]+ 555.26498 215.1
[M-H]- 531.26848 223.1
[M+NH4]+ 550.30958 222.2
[M+K]+ 571.23892 216.5
[M+H-H2O]+ 515.27302 209.4
[M+HCOO]- 577.27396 238.8
[M+CH3COO]- 591.28961 265.4
[M+Na-2H]- 553.25043 257.0
[M]+ 532.27521 214.1
[M]- 532.27631 214.1
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.