CID 507505

L-cysteinamide, n-(2-furanylcarbonyl)-l-a-glutamyl-l-leucyl-n1-[2-(4-methoxyphenyl)ethyl]-

Structural Information

Molecular Formula
C28H38N4O8S
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CS)C(=O)NCCC1=CC=C(C=C1)OC)NC(=O)[C@H](CCC(=O)O)NC(=O)C2=CC=CO2
InChI
InChI=1S/C28H38N4O8S/c1-17(2)15-21(31-26(36)20(10-11-24(33)34)30-28(38)23-5-4-14-40-23)27(37)32-22(16-41)25(35)29-13-12-18-6-8-19(39-3)9-7-18/h4-9,14,17,20-22,41H,10-13,15-16H2,1-3H3,(H,29,35)(H,30,38)(H,31,36)(H,32,37)(H,33,34)/t20-,21-,22-/m0/s1
InChIKey
DANPDCPCSAIZJD-FKBYEOEOSA-N
Compound name
(4S)-4-(furan-2-carbonylamino)-5-[[(2S)-1-[[(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.241 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.24828 246.3
[M+Na]+ 613.23022 240.2
[M-H]- 589.23372 249.5
[M+NH4]+ 608.27482 246.2
[M+K]+ 629.20416 241.8
[M+H-H2O]+ 573.23826 236.2
[M+HCOO]- 635.23920 256.3
[M+CH3COO]- 649.25485 265.0
[M+Na-2H]- 611.21567 237.6
[M]+ 590.24045 251.0
[M]- 590.24155 251.0
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

No patent data available for this compound.