CID 132558698

259230-56-3

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

1
Patents

654.39655 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 655.403826 250.0
[M+Na]+ 677.385768 251.6
[M-H]- 653.389274 250.9
[M+NH4]+ 672.430373 253.0
[M+K]+ 693.359708 254.6
[M+H-H2O]+ 637.393810 228.3
[M+HCOO]- 699.394751 253.7
[M+CH3COO]- 713.410401 292.1
[M+Na-2H]- 675.371216 276.6
[M]+ 654.39600142 288.8
[M]- 654.39709858 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