CID 6479862

Boc-v-l-f-vq-oh

Structural Information

Molecular Formula
C32H49N5O8
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)C(=O)/C=C/[C@H](CCC(=O)N)NC(=O)OC(C)(C)C)NC(=O)[C@H](C(C)C)NO
InChI
InChI=1S/C32H49N5O8/c1-19(2)17-24(36-30(42)27(37-44)20(3)4)29(41)35-23(18-21-11-9-8-10-12-21)28(40)25(38)15-13-22(14-16-26(33)39)34-31(43)45-32(5,6)7/h8-13,15,19-20,22-24,27,37,44H,14,16-18H2,1-7H3,(H2,33,39)(H,34,43)(H,35,41)(H,36,42)/b15-13+/t22-,23+,24+,27+/m1/s1
InChIKey
XTQUKOMFJVDDMV-RJGFDLBPSA-N
Compound name
tert-butyl N-[(E,4S,9S)-1-amino-9-[[(2S)-2-[[(2S)-2-(hydroxyamino)-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-1,7,8-trioxo-10-phenyldec-5-en-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

631.3581 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 632.36538 221.3
[M+Na]+ 654.34732 238.7
[M-H]- 630.35082 240.1
[M+NH4]+ 649.39192 236.7
[M+K]+ 670.32126 234.0
[M+H-H2O]+ 614.35536 222.4
[M+HCOO]- 676.35630 204.1
[M+CH3COO]- 690.37195 280.2
[M+Na-2H]- 652.33277 216.2
[M]+ 631.35755 212.2
[M]- 631.35865 212.2
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.