CID 480168

Sv 40 large t antigen nls

Structural Information

Molecular Formula
C43H83N15O8S
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CS)C=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1
InChI
InChI=1S/C43H83N15O8S/c1-27(2)35(42(66)52-28(25-59)26-67)58-41(65)33(16-6-10-22-47)56-40(64)34(18-12-24-51-43(48)49)57-39(63)32(15-5-9-21-46)55-38(62)31(14-4-8-20-45)54-37(61)30(13-3-7-19-44)53-36(60)29-17-11-23-50-29/h25,27-35,50,67H,3-24,26,44-47H2,1-2H3,(H,52,66)(H,53,60)(H,54,61)(H,55,62)(H,56,64)(H,57,63)(H,58,65)(H4,48,49,51)/t28-,29+,30+,31+,32+,33+,34+,35+/m1/s1
InChIKey
OPSCWOXNQKYQJK-JFAAMXBPSA-N
Compound name
(2S)-N-[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-3-methyl-1-oxo-1-[[(2R)-1-oxo-3-sulfanylpropan-2-yl]amino]butan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

969.62695 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 970.63423 307.3
[M+Na]+ 992.61617 300.5
[M-H]- 968.61967 309.4
[M+NH4]+ 987.66077 307.7
[M+K]+ 1008.5901 306.5
[M+H-H2O]+ 952.62421 284.7
[M+HCOO]- 1014.6252 306.6
[M+CH3COO]- 1028.6408 307.9
[M+Na-2H]- 990.60162 349.5
[M]+ 969.62640 342.5
[M]- 969.62750 342.5
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.