CID 156963546

Nartograstim

Structural Information

Molecular Formula
C30H49N9O10S
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

compound 2d structure
3
Annotation Hits

38
References

0
Patents

727.33234 Da
Monoisotopic Mass

-5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 728.33962 265.6
[M+Na]+ 750.32156 263.4
[M-H]- 726.32506 269.4
[M+NH4]+ 745.36616 268.2
[M+K]+ 766.29550 262.8
[M+H-H2O]+ 710.32960 245.3
[M+HCOO]- 772.33054 268.6
[M+CH3COO]- 786.34619 271.3
[M+Na-2H]- 748.30701 306.2
[M]+ 727.33179 306.2
[M]- 727.33289 306.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.