CID 4304046

[d-ala6, n-me-leu7]-lh-rh

Structural Information

Molecular Formula
C57H79N17O13
SMILES
CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(=O)N)N(C)C(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6
InChI
InChI=1S/C57H79N17O13/c1-30(2)21-45(54(85)68-39(11-7-19-62-57(59)60)56(87)74-20-8-12-44(74)53(84)64-27-46(58)77)73(4)55(86)31(3)66-49(80)40(22-32-13-15-35(76)16-14-32)69-52(83)43(28-75)72-50(81)41(23-33-25-63-37-10-6-5-9-36(33)37)70-51(82)42(24-34-26-61-29-65-34)71-48(79)38-17-18-47(78)67-38/h5-6,9-10,13-16,25-26,29-31,38-45,63,75-76H,7-8,11-12,17-24,27-28H2,1-4H3,(H2,58,77)(H,61,65)(H,64,84)(H,66,80)(H,67,78)(H,68,85)(H,69,83)(H,70,82)(H,71,79)(H,72,81)(H4,59,60,62)
InChIKey
CIPBORBNRWHXKJ-UHFFFAOYSA-N
Compound name
N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

1209.6044 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1210.6117 341.6
[M+Na]+ 1232.5936 354.8
[M+NH4]+ 1227.6382 355.0
[M+K]+ 1248.5676 342.2
[M-H]- 1208.5971 351.1
[M+Na-2H]- 1230.5791 360.0
[M]+ 1209.6039 354.7
[M]- 1209.6049 354.7
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