CID 10101610

Rpkpqq

Structural Information

Molecular Formula
C32H56N12O9
SMILES
C1C[C@H](N(C1)C(=O)[C@H](CCCN=C(N)N)N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)O
InChI
InChI=1S/C32H56N12O9/c33-14-2-1-7-20(41-28(49)22-8-4-16-43(22)29(50)18(34)6-3-15-39-32(37)38)30(51)44-17-5-9-23(44)27(48)40-19(10-12-24(35)45)26(47)42-21(31(52)53)11-13-25(36)46/h18-23H,1-17,33-34H2,(H2,35,45)(H2,36,46)(H,40,48)(H,41,49)(H,42,47)(H,52,53)(H4,37,38,39)/t18-,19-,20-,21-,22-,23-/m0/s1
InChIKey
UFTDINHLCHPVEW-LLINQDLYSA-N
Compound name
(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

752.4293 Da
Monoisotopic Mass

-7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 753.43658 267.1
[M+Na]+ 775.41852 274.3
[M+NH4]+ 770.46312 274.7
[M+K]+ 791.39246 262.8
[M-H]- 751.42202 268.2
[M+Na-2H]- 773.40397 283.4
[M]+ 752.42875 273.4
[M]- 752.42985 273.4
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

patents stripe