CID 146683692

Tasiamid c

Structural Information

Molecular Formula
C41H64N6O11
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=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](C(C)C)OC(=O)[C@H](C(C)C)O
InChI
InChI=1S/C41H64N6O11/c1-11-25(6)32(44-35(50)28(19-20-31(42)48)45(8)39(54)34(24(4)5)58-41(56)33(49)23(2)3)36(51)43-26(7)37(52)46(9)30(22-27-16-13-12-14-17-27)38(53)47-21-15-18-29(47)40(55)57-10/h12-14,16-17,23-26,28-30,32-34,49H,11,15,18-22H2,1-10H3,(H2,42,48)(H,43,51)(H,44,50)/t25-,26-,28-,29-,30+,32-,33-,34+/m0/s1
InChIKey
AHQNKBYNGPOOJC-MQGPFOMQSA-N
Compound name
methyl (2S)-1-[(2R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2R)-2-[(2S)-2-hydroxy-3-methylbutanoyl]oxy-3-methylbutanoyl]-methylamino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]propanoyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

816.4633 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 817.47058 279.1
[M+Na]+ 839.45252 277.2
[M-H]- 815.45602 287.5
[M+NH4]+ 834.49712 282.4
[M+K]+ 855.42646 269.8
[M+H-H2O]+ 799.46056 256.3
[M+HCOO]- 861.46150 282.7
[M+CH3COO]- 875.47715 315.6
[M+Na-2H]- 837.43797 312.9
[M]+ 816.46275 323.6
[M]- 816.46385 323.6
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.