CID 492973

H-gly-arg-gly-asp-ser-pro-oh

Structural Information

Molecular Formula
C22H37N9O10
SMILES
C1C[C@H](N(C1)C(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CN)C(=O)O
InChI
InChI=1S/C22H37N9O10/c23-8-15(33)28-11(3-1-5-26-22(24)25)18(37)27-9-16(34)29-12(7-17(35)36)19(38)30-13(10-32)20(39)31-6-2-4-14(31)21(40)41/h11-14,32H,1-10,23H2,(H,27,37)(H,28,33)(H,29,34)(H,30,38)(H,35,36)(H,40,41)(H4,24,25,26)/t11-,12-,13-,14-/m0/s1
InChIKey
NTEDOEBWPRVVSG-XUXIUFHCSA-N
Compound name
(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

113
References

787
Patents

587.26636 Da
Monoisotopic Mass

-7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 588.27364 229.6
[M+Na]+ 610.25558 225.1
[M-H]- 586.25908 228.9
[M+NH4]+ 605.30018 230.0
[M+K]+ 626.22952 229.4
[M+H-H2O]+ 570.26362 209.5
[M+HCOO]- 632.26456 231.3
[M+CH3COO]- 646.28021 275.4
[M+Na-2H]- 608.24103 261.0
[M]+ 587.26581 255.7
[M]- 587.26691 255.7
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

patents stripe