CID 132558698

Br2y2lga6l

Structural Information

Molecular Formula
C32H50N10O5
SMILES
CC[C@@H](C)[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)C(C)(C)N
InChI
InChI=1S/C32H50N10O5/c1-5-18(2)25(28(45)39-22(26(33)43)12-8-14-37-31(34)35)41-27(44)24-13-9-15-42(24)29(46)23(40-30(47)32(3,4)36)16-19-17-38-21-11-7-6-10-20(19)21/h6-7,10-11,17-18,22-25,38H,5,8-9,12-16,36H2,1-4H3,(H2,33,43)(H,39,45)(H,40,47)(H,41,44)(H4,34,35,37)/t18-,22+,23-,24-,25-/m1/s1
InChIKey
FUKAOCUPJHRPLL-UIGIRGJTSA-N
Compound name
(2R)-N-[(2R,3R)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

654.39655 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 655.40383 250.0
[M+Na]+ 677.38577 251.6
[M-H]- 653.38927 250.9
[M+NH4]+ 672.43037 253.0
[M+K]+ 693.35971 254.6
[M+H-H2O]+ 637.39381 228.3
[M+HCOO]- 699.39475 253.7
[M+CH3COO]- 713.41040 292.1
[M+Na-2H]- 675.37122 276.6
[M]+ 654.39600 288.8
[M]- 654.39710 288.8
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

patents stripe