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 240.7
[M+Na]+ 662.29812 235.7
[M-H]- 638.30162 239.3
[M+NH4]+ 657.34272 240.8
[M+K]+ 678.27206 243.8
[M+H-H2O]+ 622.30616 219.0
[M+HCOO]- 684.30710 241.6
[M+CH3COO]- 698.32275 244.9
[M+Na-2H]- 660.28357 268.4
[M]+ 639.30835 266.9
[M]- 639.30945 266.9
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.