CID 42641526

Ethylargininoate acetamidomethionamide

Structural Information

Molecular Formula
C15H29N5O4S
SMILES
CCOC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCSC)NC(=O)C
InChI
InChI=1S/C15H29N5O4S/c1-4-24-14(23)12(6-5-8-18-15(16)17)20-13(22)11(7-9-25-3)19-10(2)21/h11-12H,4-9H2,1-3H3,(H,19,21)(H,20,22)(H4,16,17,18)/t11-,12-/m0/s1
InChIKey
XOUOKAFQPWVXEV-RYUDHWBXSA-N
Compound name
ethyl (2S)-2-[[(2S)-2-acetamido-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

375.19403 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.20131 192.0
[M+Na]+ 398.18325 190.4
[M-H]- 374.18675 190.5
[M+NH4]+ 393.22785 202.0
[M+K]+ 414.15719 190.0
[M+H-H2O]+ 358.19129 182.4
[M+HCOO]- 420.19223 207.6
[M+CH3COO]- 434.20788 232.1
[M+Na-2H]- 396.16870 185.6
[M]+ 375.19348 192.7
[M]- 375.19458 192.7
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