CID 9831050

Sligrl-nh2

Structural Information

Molecular Formula
C29H56N10O7
SMILES
CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)N
InChI
InChI=1S/C29H56N10O7/c1-7-17(6)23(39-27(45)21(12-16(4)5)38-25(43)18(30)14-40)28(46)35-13-22(41)36-19(9-8-10-34-29(32)33)26(44)37-20(24(31)42)11-15(2)3/h15-21,23,40H,7-14,30H2,1-6H3,(H2,31,42)(H,35,46)(H,36,41)(H,37,44)(H,38,43)(H,39,45)(H4,32,33,34)/t17-,18-,19-,20-,21-,23-/m0/s1
InChIKey
SGPMJRPYYIJZPC-JYAZKYGWSA-N
Compound name
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-N-[2-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-3-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

140
References

386
Patents

656.43335 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 657.44063 256.9
[M+Na]+ 679.42257 252.9
[M-H]- 655.42607 259.9
[M+NH4]+ 674.46717 258.9
[M+K]+ 695.39651 253.2
[M+H-H2O]+ 639.43061 237.0
[M+HCOO]- 701.43155 259.4
[M+CH3COO]- 715.44720 301.4
[M+Na-2H]- 677.40802 299.5
[M]+ 656.43280 296.5
[M]- 656.43390 296.5
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