CID 481564

Z-ans-apns-pro-nh-tert-amyl

Structural Information

Molecular Formula
C32H43N5O7
SMILES
CCC(C)(C)NC(=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/c1-4-32(2,3)36-29(41)25-16-11-17-37(25)30(42)27(39)23(18-21-12-7-5-8-13-21)34-28(40)24(19-26(33)38)35-31(43)44-20-22-14-9-6-10-15-22/h5-10,12-15,23-25,27,39H,4,11,16-20H2,1-3H3,(H2,33,38)(H,34,40)(H,35,43)(H,36,41)/t23-,24-,25-,27-/m0/s1
InChIKey
QDAFNWKZKMQCMO-XLXZRNDBSA-N
Compound name
benzyl N-[(2S)-4-amino-1-[[(2S,3S)-3-hydroxy-4-[(2S)-2-(2-methylbutan-2-ylcarbamoyl)pyrrolidin-1-yl]-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

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 610.32348 240.1
[M+Na]+ 632.30542 232.6
[M-H]- 608.30892 244.2
[M+NH4]+ 627.35002 238.4
[M+K]+ 648.27936 233.9
[M+H-H2O]+ 592.31346 230.0
[M+HCOO]- 654.31440 251.3
[M+CH3COO]- 668.33005 268.9
[M+Na-2H]- 630.29087 232.9
[M]+ 609.31565 236.9
[M]- 609.31675 236.9
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.