CID 507542

L-cysteinamide, n-(phenylsulfonyl)-l-a-glutamyl-l-leucyl-n1-[2-(2-chlorophenyl)ethyl]-

Structural Information

Molecular Formula
C28H37ClN4O7S2
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CS)C(=O)NCCC1=CC=CC=C1Cl)NC(=O)[C@H](CCC(=O)O)NS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C28H37ClN4O7S2/c1-18(2)16-23(28(38)32-24(17-41)26(36)30-15-14-19-8-6-7-11-21(19)29)31-27(37)22(12-13-25(34)35)33-42(39,40)20-9-4-3-5-10-20/h3-11,18,22-24,33,41H,12-17H2,1-2H3,(H,30,36)(H,31,37)(H,32,38)(H,34,35)/t22-,23-,24-/m0/s1
InChIKey
KMUKTCZYBUVMME-HJOGWXRNSA-N
Compound name
(4S)-4-(benzenesulfonamido)-5-[[(2S)-1-[[(2R)-1-[2-(2-chlorophenyl)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

640.1792 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 641.18648 239.8
[M+Na]+ 663.16842 234.3
[M-H]- 639.17192 241.2
[M+NH4]+ 658.21302 238.5
[M+K]+ 679.14236 230.7
[M+H-H2O]+ 623.17646 231.6
[M+HCOO]- 685.17740 239.8
[M+CH3COO]- 699.19305 268.0
[M+Na-2H]- 661.15387 236.7
[M]+ 640.17865 244.6
[M]- 640.17975 244.6
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.