CID 25111596

Viridamide a

Structural Information

Molecular Formula
C46H79N5O10
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@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)OC)N(C)C(=O)CCCC(CCCC#C)OC
InChI
InChI=1S/C46H79N5O10/c1-16-19-20-23-33(59-14)24-21-26-35(52)49(12)39(31(10)17-2)42(54)47-36(28(4)5)41(53)48-37(29(6)7)43(55)50(13)38(30(8)9)46(58)61-40(32(11)18-3)44(56)51-27-22-25-34(51)45(57)60-15/h1,28-34,36-40H,17-27H2,2-15H3,(H,47,54)(H,48,53)/t31-,32-,33?,34-,36-,37-,38-,39-,40-/m0/s1
InChIKey
XKUKFJXRMIGFKU-QHUKCZFVSA-N
Compound name
methyl (2S)-1-[(2S,3S)-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-methylpentanoyl]pyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

861.5827 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 862.58998 324.1
[M+Na]+ 884.57192 343.0
[M-H]- 860.57542 343.9
[M+NH4]+ 879.61652 355.5
[M+K]+ 900.54586 346.5
[M+H-H2O]+ 844.57996 332.6
[M+HCOO]- 906.58090 292.8
[M+CH3COO]- 920.59655 316.4
[M+Na-2H]- 882.55737 316.4
[M]+ 861.58215 326.3
[M]- 861.58325 326.3
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