CID 9852364

Nc-1900

Structural Information

Molecular Formula
C25H41N11O9
SMILES
C1C[C@H](N(C1)C(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]2CCC(=O)N2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N
InChI
InChI=1S/C25H41N11O9/c26-17(38)9-14(34-21(42)13-5-6-19(40)32-13)22(43)35-15(11-37)24(45)36-8-2-4-16(36)23(44)33-12(3-1-7-30-25(28)29)20(41)31-10-18(27)39/h12-16,37H,1-11H2,(H2,26,38)(H2,27,39)(H,31,41)(H,32,40)(H,33,44)(H,34,42)(H,35,43)(H4,28,29,30)/t12-,13-,14-,15-,16-/m0/s1
InChIKey
ZUKYEQRWBONAMM-QXKUPLGCSA-N
Compound name
(2S)-N-[(2S)-1-[(2S)-2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

0
Patents

639.3089 Da
Monoisotopic Mass

-6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 640.31618 242.9
[M+Na]+ 662.29812 249.4
[M+NH4]+ 657.34272 249.5
[M+K]+ 678.27206 239.5
[M-H]- 638.30162 242.5
[M+Na-2H]- 660.28357 257.9
[M]+ 639.30835 247.8
[M]- 639.30945 247.8
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.