CID 482170

H-gly-arg-gly-leu-arg-leu-leu-oh

Structural Information

Molecular Formula
C34H65N13O8
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CN
InChI
InChI=1S/C34H65N13O8/c1-18(2)13-23(44-27(49)17-42-28(50)21(43-26(48)16-35)9-7-11-40-33(36)37)30(52)45-22(10-8-12-41-34(38)39)29(51)46-24(14-19(3)4)31(53)47-25(32(54)55)15-20(5)6/h18-25H,7-17,35H2,1-6H3,(H,42,50)(H,43,48)(H,44,49)(H,45,52)(H,46,51)(H,47,53)(H,54,55)(H4,36,37,40)(H4,38,39,41)/t21-,22-,23-,24-,25-/m0/s1
InChIKey
ORESTHVOUXMKHX-KEOOTSPTSA-N
Compound name
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

783.50793 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 784.51521 276.6
[M+Na]+ 806.49715 269.4
[M-H]- 782.50065 280.1
[M+NH4]+ 801.54175 277.5
[M+K]+ 822.47109 272.1
[M+H-H2O]+ 766.50519 255.4
[M+HCOO]- 828.50613 277.3
[M+CH3COO]- 842.52178 279.5
[M+Na-2H]- 804.48260 322.8
[M]+ 783.50738 313.4
[M]- 783.50848 313.4
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.