CID 146683691

Tasiamid e

Structural Information

Molecular Formula
C42H67N7O10
SMILES
CC[C@H](C)[C@@H](C(=O)NCC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)OC)NC(=O)[C@H](CCC(=O)N)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)O
InChI
InChI=1S/C42H67N7O10/c1-10-27(6)36(46-37(53)30(18-19-34(43)51)48(8)40(56)29(21-25(2)3)45-38(54)33(50)22-26(4)5)39(55)44-24-35(52)47(7)32(23-28-15-12-11-13-16-28)41(57)49-20-14-17-31(49)42(58)59-9/h11-13,15-16,25-27,29-33,36,50H,10,14,17-24H2,1-9H3,(H2,43,51)(H,44,55)(H,45,54)(H,46,53)/t27-,29-,30-,31-,32+,33-,36-/m0/s1
InChIKey
NJVPZEXIAOQHHV-RLMVSLMISA-N
Compound name
methyl (2S)-1-[(2R)-2-[[2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-hydroxy-4-methylpentanoyl]amino]-4-methylpentanoyl]-methylamino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]acetyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

829.49493 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 830.50221 285.6
[M+Na]+ 852.48415 283.6
[M-H]- 828.48765 293.0
[M+NH4]+ 847.52875 288.7
[M+K]+ 868.45809 277.5
[M+H-H2O]+ 812.49219 262.5
[M+HCOO]- 874.49313 288.8
[M+CH3COO]- 888.50878 320.6
[M+Na-2H]- 850.46960 320.3
[M]+ 829.49438 329.9
[M]- 829.49548 329.9
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.