CID 91799105

1192224-24-0

Structural Information

Molecular Formula
C26H43N5O7
SMILES
CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CNNC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC
InChI
InChI=1S/C26H43N5O7/c1-25(2,3)19(29-23(35)37-7)21(33)28-17(14-16-12-10-9-11-13-16)18(32)15-27-31-22(34)20(26(4,5)6)30-24(36)38-8/h9-13,17-20,27,32H,14-15H2,1-8H3,(H,28,33)(H,29,35)(H,30,36)(H,31,34)/t17-,18-,19+,20+/m0/s1
InChIKey
LUAXFCAWZAZCNR-VNTMZGSJSA-N
Compound name
methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

537.3162 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.32348 227.5
[M+Na]+ 560.30542 242.0
[M+NH4]+ 555.35002 237.1
[M+K]+ 576.27936 234.9
[M-H]- 536.30892 238.8
[M+Na-2H]- 558.29087 237.5
[M]+ 537.31565 233.3
[M]- 537.31675 233.3
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

No patent data available for this compound.