PubChemLite - Nartograstim (C30H49N9O10S)

Structural Information

Molecular Formula

SMILES

CC(C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)O)NC(=O)C(C)NC(=O)C(CCSC)N)O

InChI

InChI=1S/C30H49N9O10S/c1-15(35-25(44)19(31)10-12-50-3)24(43)39-23(16(2)41)28(47)37-21(13-17-6-8-18(42)9-7-17)27(46)36-20(5-4-11-34-30(32)33)26(45)38-22(14-40)29(48)49/h6-9,15-16,19-23,40-42H,4-5,10-14,31H2,1-3H3,(H,35,44)(H,36,46)(H,37,47)(H,38,45)(H,39,43)(H,48,49)(H4,32,33,34)

InChIKey

DRYGYHITZUXESB-UHFFFAOYSA-N

Compound name

2-[[2-[[2-[[2-[2-[(2-amino-4-methylsulfanylbutanoyl)amino]propanoylamino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoic 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]+	728.33962	258.2
[M+Na]+	750.32156	265.3
[M+NH4]+	745.36616	265.6
[M+K]+	766.29550	254.5
[M-H]-	726.32506	258.8
[M+Na-2H]-	748.30701	284.1
[M]+	727.33179	264.1
[M]-	727.33289	264.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

728.33962

258.2

[M+Na]+

750.32156

265.3

[M+NH4]+

745.36616

265.6

[M+K]+

766.29550

254.5

[M-H]-

726.32506

258.8

[M+Na-2H]-

748.30701

284.1

[M]+

727.33179

264.1

[M]-

727.33289

264.1

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

Nartograstim

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe