CID 452602

Z-asn-sta-ile-nh2

Structural Information

Molecular Formula
C26H41N5O7
SMILES
CC[C@H](C)[C@@H](C(=O)N)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)OCC1=CC=CC=C1)O
InChI
InChI=1S/C26H41N5O7/c1-5-16(4)23(24(28)35)31-22(34)13-20(32)18(11-15(2)3)29-25(36)19(12-21(27)33)30-26(37)38-14-17-9-7-6-8-10-17/h6-10,15-16,18-20,23,32H,5,11-14H2,1-4H3,(H2,27,33)(H2,28,35)(H,29,36)(H,30,37)(H,31,34)/t16-,18-,19-,20-,23-/m0/s1
InChIKey
IMVXBBMHHNFUIY-WGLQCKHLSA-N
Compound name
benzyl N-[(2S)-4-amino-1-[[(3S,4S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-1,4-dioxobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

535.3006 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.30788 210.9
[M+Na]+ 558.28982 228.3
[M-H]- 534.29332 225.7
[M+NH4]+ 553.33442 221.1
[M+K]+ 574.26376 219.9
[M+H-H2O]+ 518.29786 212.9
[M+HCOO]- 580.29880 195.0
[M+CH3COO]- 594.31445 263.1
[M+Na-2H]- 556.27527 205.7
[M]+ 535.30005 198.3
[M]- 535.30115 198.3
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.