CID 481563

Z-ans-apns-pro-nh-ch2tbut

Structural Information

Molecular Formula
C32H43N5O7
SMILES
CC(C)(C)CNC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)OCC3=CC=CC=C3)O
InChI
InChI=1S/C32H43N5O7/c1-32(2,3)20-34-29(41)25-15-10-16-37(25)30(42)27(39)23(17-21-11-6-4-7-12-21)35-28(40)24(18-26(33)38)36-31(43)44-19-22-13-8-5-9-14-22/h4-9,11-14,23-25,27,39H,10,15-20H2,1-3H3,(H2,33,38)(H,34,41)(H,35,40)(H,36,43)/t23-,24-,25-,27-/m0/s1
InChIKey
GTFFRHWTRZQIAU-XLXZRNDBSA-N
Compound name
benzyl N-[(2S)-4-amino-1-[[(2S,3S)-4-[(2S)-2-(2,2-dimethylpropylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

609.3162 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 610.32348 240.5
[M+Na]+ 632.30542 233.1
[M-H]- 608.30892 244.7
[M+NH4]+ 627.35002 239.0
[M+K]+ 648.27936 234.4
[M+H-H2O]+ 592.31346 230.4
[M+HCOO]- 654.31440 251.7
[M+CH3COO]- 668.33005 268.3
[M+Na-2H]- 630.29087 233.3
[M]+ 609.31565 237.2
[M]- 609.31675 237.2
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.