CID 5479340

Naphthyl-l-682,679

Structural Information

Molecular Formula
C43H54N4O6
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC3=CC=CC=C32)C[C@@H]([C@H](CC4=CC=CC=C4)NC(=O)OC(C)(C)C)O
InChI
InChI=1S/C43H54N4O6/c1-28(2)23-37(41(51)45-36(39(44)49)25-30-17-10-7-11-18-30)46-40(50)33(26-32-21-14-20-31-19-12-13-22-34(31)32)27-38(48)35(24-29-15-8-6-9-16-29)47-42(52)53-43(3,4)5/h6-22,28,33,35-38,48H,23-27H2,1-5H3,(H2,44,49)(H,45,51)(H,46,50)(H,47,52)/t33-,35+,36+,37+,38+/m1/s1
InChIKey
OAYKABVVJPVGJQ-YHKVADFHSA-N
Compound name
tert-butyl N-[(2S,3S,5R)-6-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-5-(naphthalen-1-ylmethyl)-6-oxo-1-phenylhexan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

722.40436 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 723.41164 270.4
[M+Na]+ 745.39358 260.4
[M-H]- 721.39708 274.3
[M+NH4]+ 740.43818 264.0
[M+K]+ 761.36752 261.5
[M+H-H2O]+ 705.40162 259.0
[M+HCOO]- 767.40256 277.8
[M+CH3COO]- 781.41821 293.4
[M+Na-2H]- 743.37903 262.6
[M]+ 722.40381 268.8
[M]- 722.40491 268.8
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.