CID 5481565

Vevaeeee

Structural Information

Molecular Formula
C38H60N8O19
SMILES
C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)N
InChI
InChI=1S/C38H60N8O19/c1-16(2)29(39)36(62)44-22(9-14-27(53)54)35(61)46-30(17(3)4)37(63)40-18(5)31(57)41-19(6-11-24(47)48)32(58)42-20(7-12-25(49)50)33(59)43-21(8-13-26(51)52)34(60)45-23(38(64)65)10-15-28(55)56/h16-23,29-30H,6-15,39H2,1-5H3,(H,40,63)(H,41,57)(H,42,58)(H,43,59)(H,44,62)(H,45,60)(H,46,61)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,64,65)/t18-,19-,20-,21-,22-,23-,29-,30-/m0/s1
InChIKey
HGKSODVCTHAHSO-JHVFBRMASA-N
Compound name
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

932.39746 Da
Monoisotopic Mass

-7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 933.40474 286.3
[M+Na]+ 955.38668 273.8
[M-H]- 931.39018 294.2
[M+NH4]+ 950.43128 285.3
[M+K]+ 971.36062 273.0
[M+H-H2O]+ 915.39472 262.7
[M+HCOO]- 977.39566 285.3
[M+CH3COO]- 991.41131 287.4
[M+Na-2H]- 953.37213 327.5
[M]+ 932.39691 308.2
[M]- 932.39801 308.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.