CID 102411412

Viridamide b

Structural Information

Molecular Formula
C45H77N5O10
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)OC)N(C)C(=O)CCCC(CCCC#C)OC
InChI
InChI=1S/C45H77N5O10/c1-16-18-19-22-32(58-14)23-20-25-34(51)48(12)38(31(11)17-2)41(53)46-35(27(3)4)40(52)47-36(28(5)6)42(54)49(13)37(29(7)8)45(57)60-39(30(9)10)43(55)50-26-21-24-33(50)44(56)59-15/h1,27-33,35-39H,17-26H2,2-15H3,(H,46,53)(H,47,52)/t31-,32?,33-,35-,36-,37-,38-,39-/m0/s1
InChIKey
NMOVUNPLGLJIRX-ZCPVWPFNSA-N
Compound name
methyl (2S)-1-[(2S)-2-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[5-methoxydec-9-ynoyl(methyl)amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]oxy-3-methylbutanoyl]pyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

847.567 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 848.57428 321.4
[M+Na]+ 870.55622 340.4
[M-H]- 846.55972 341.4
[M+NH4]+ 865.60082 352.8
[M+K]+ 886.53016 343.6
[M+H-H2O]+ 830.56426 329.9
[M+HCOO]- 892.56520 290.4
[M+CH3COO]- 906.58085 314.4
[M+Na-2H]- 868.54167 314.0
[M]+ 847.56645 323.4
[M]- 847.56755 323.4
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.