PubChemLite - Lysine derivative 17 (C34H42N2O6S)

Structural Information

Molecular Formula

SMILES

CCC(CC)CN([C@@H](CCCCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C34H42N2O6S/c1-4-25(5-2)22-36(43(40,41)26-19-17-24(3)18-20-26)32(33(37)38)16-10-11-21-35-34(39)42-23-31-29-14-8-6-12-27(29)28-13-7-9-15-30(28)31/h6-9,12-15,17-20,25,31-32H,4-5,10-11,16,21-23H2,1-3H3,(H,35,39)(H,37,38)/t32-/m0/s1

InChIKey

BKZLAIKLTFTJTM-YTTGMZPUSA-N

Compound name

(2S)-2-[2-ethylbutyl-(4-methylphenyl)sulfonylamino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	607.28365	248.7
[M+Na]+	629.26559	247.3
[M-H]-	605.26909	254.2
[M+NH4]+	624.31019	253.2
[M+K]+	645.23953	244.5
[M+H-H2O]+	589.27363	239.8
[M+HCOO]-	651.27457	258.1
[M+CH3COO]-	665.29022	265.6
[M+Na-2H]-	627.25104	245.6
[M]+	606.27582	256.7
[M]-	606.27692	256.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

607.28365

248.7

[M+Na]+

629.26559

247.3

[M-H]-

605.26909

254.2

[M+NH4]+

624.31019

253.2

[M+K]+

645.23953

244.5

[M+H-H2O]+

589.27363

239.8

[M+HCOO]-

651.27457

258.1

[M+CH3COO]-

665.29022

265.6

[M+Na-2H]-

627.25104

245.6

[M]+

606.27582

256.7

[M]-

606.27692

256.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Lysine derivative 17

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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