CID 83767

Boc-arg(tos)-oh

Structural Information

Molecular Formula
C18H28N4O6S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C)N
InChI
InChI=1S/C18H28N4O6S/c1-12-7-9-13(10-8-12)29(26,27)22-16(19)20-11-5-6-14(15(23)24)21-17(25)28-18(2,3)4/h7-10,14H,5-6,11H2,1-4H3,(H,21,25)(H,23,24)(H3,19,20,22)/t14-/m0/s1
InChIKey
WBIIPXYJAMICNU-AWEZNQCLSA-N
Compound name
(2S)-5-[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1897
Patents

428.17294 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.18022 197.5
[M+Na]+ 451.16216 198.8
[M+NH4]+ 446.20676 198.2
[M+K]+ 467.13610 197.7
[M-H]- 427.16566 194.7
[M+Na-2H]- 449.14761 197.3
[M]+ 428.17239 196.4
[M]- 428.17349 196.4
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

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