CID 452251

Phconh(decoohf)p(o)(oh)cypentcovvnh2

Structural Information

Molecular Formula
C31H43N4O6P
SMILES
CC(C)[C@@H](C(=O)N)NC(=O)[C@H](C(C)C)NC(=O)C1CCCC1P(=O)(C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)O
InChI
InChI=1S/C31H43N4O6P/c1-19(2)26(28(32)36)34-31(39)27(20(3)4)35-30(38)23-16-11-17-24(23)42(40,41)25(18-21-12-7-5-8-13-21)33-29(37)22-14-9-6-10-15-22/h5-10,12-15,19-20,23-27H,11,16-18H2,1-4H3,(H2,32,36)(H,33,37)(H,34,39)(H,35,38)(H,40,41)/t23?,24?,25?,26-,27-/m0/s1
InChIKey
ICQFQIDPZBAEPP-CTEMSKPWSA-N
Compound name
[2-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclopentyl]-(1-benzamido-2-phenylethyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

598.292 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 599.29928 239.9
[M+Na]+ 621.28122 231.8
[M-H]- 597.28472 243.9
[M+NH4]+ 616.32582 240.3
[M+K]+ 637.25516 233.6
[M+H-H2O]+ 581.28926 228.6
[M+HCOO]- 643.29020 256.1
[M+CH3COO]- 657.30585 269.7
[M+Na-2H]- 619.26667 227.7
[M]+ 598.29145 234.5
[M]- 598.29255 234.5
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.