CID 452250

Bzoc(decoohf)p(o)(oh)cypentco-v-v-nh2

Structural Information

Molecular Formula
C31H43N4O7P
SMILES
CC(C)[C@@H](C(=O)N)NC(=O)[C@H](C(C)C)NC(=O)C1CCCC1P(=O)(C(C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)O
InChI
InChI=1S/C31H43N4O7P/c1-19(2)25(27(32)36)33-29(38)26(20(3)4)34-28(37)23-16-11-17-24(23)43(40,41)30(22-14-9-6-10-15-22)35-31(39)42-18-21-12-7-5-8-13-21/h5-10,12-15,19-20,23-26,30H,11,16-18H2,1-4H3,(H2,32,36)(H,33,38)(H,34,37)(H,35,39)(H,40,41)/t23?,24?,25-,26-,30?/m0/s1
InChIKey
GSTWCLNDFZEPJO-UNYVQHIMSA-N
Compound name
[2-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclopentyl]-[phenyl(phenylmethoxycarbonylamino)methyl]phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

614.2869 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.29418 241.5
[M+Na]+ 637.27612 233.1
[M-H]- 613.27962 245.4
[M+NH4]+ 632.32072 241.2
[M+K]+ 653.25006 235.8
[M+H-H2O]+ 597.28416 230.0
[M+HCOO]- 659.28510 257.8
[M+CH3COO]- 673.30075 271.4
[M+Na-2H]- 635.26157 229.8
[M]+ 614.28635 237.3
[M]- 614.28745 237.3
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.