PubChemLite - Z-acp-leu-metyr-ma (C29H40N4O6)

Structural Information

Molecular Formula

SMILES

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)OC)C(=O)NC)NC(CCNC(=O)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C29H40N4O6/c1-19(2)16-24(28(36)33-25(27(35)30-3)17-21-10-12-22(39-4)13-11-21)32-23(29(37)38)14-15-31-26(34)18-20-8-6-5-7-9-20/h5-13,19,23-25,32H,14-18H2,1-4H3,(H,30,35)(H,31,34)(H,33,36)(H,37,38)

InChIKey

CEZWBEWZEZTEHO-UHFFFAOYSA-N

Compound name

2-[[1-[[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[(2-phenylacetyl)amino]butanoic 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]+	541.30208	233.9
[M+Na]+	563.28402	228.8
[M-H]-	539.28752	236.5
[M+NH4]+	558.32862	235.3
[M+K]+	579.25796	229.0
[M+H-H2O]+	523.29206	223.0
[M+HCOO]-	585.29300	249.6
[M+CH3COO]-	599.30865	260.7
[M+Na-2H]-	561.26947	226.5
[M]+	540.29425	234.2
[M]-	540.29535	234.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

541.30208

233.9

[M+Na]+

563.28402

228.8

[M-H]-

539.28752

236.5

[M+NH4]+

558.32862

235.3

[M+K]+

579.25796

229.0

[M+H-H2O]+

523.29206

223.0

[M+HCOO]-

585.29300

249.6

[M+CH3COO]-

599.30865

260.7

[M+Na-2H]-

561.26947

226.5

[M]+

540.29425

234.2

[M]-

540.29535

234.2

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

Z-acp-leu-metyr-ma

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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