PubChemLite - Z-gly-pro-arg-mna (C32H39N7O6)

Structural Information

Molecular Formula

SMILES

COC1=CC(=CC2=CC=CC=C21)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C32H39N7O6/c1-44-27-18-23(17-22-11-5-6-12-24(22)27)37-29(41)25(13-7-15-35-31(33)34)38-30(42)26-14-8-16-39(26)28(40)19-36-32(43)45-20-21-9-3-2-4-10-21/h2-6,9-12,17-18,25-26H,7-8,13-16,19-20H2,1H3,(H,36,43)(H,37,41)(H,38,42)(H4,33,34,35)/t25-,26-/m0/s1

InChIKey

GRFKZYIOWWFSLU-UIOOFZCWSA-N

Compound name

benzyl N-[2-[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate

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]+	618.30348	242.8
[M+Na]+	640.28542	243.9
[M+NH4]+	635.33002	242.7
[M+K]+	656.25936	243.8
[M-H]-	616.28892	246.3
[M+Na-2H]-	638.27087	244.2
[M]+	617.29565	242.6
[M]-	617.29675	242.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

618.30348

242.8

[M+Na]+

640.28542

243.9

[M+NH4]+

635.33002

242.7

[M+K]+

656.25936

243.8

[M-H]-

616.28892

246.3

[M+Na-2H]-

638.27087

244.2

[M]+

617.29565

242.6

[M]-

617.29675

242.6

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

Z-gly-pro-arg-mna

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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