CID 471367

Ac-pro-val-sta-leu-phe-nh2

Structural Information

Molecular Formula
C35H56N6O7
SMILES
CC(C)C[C@@H]([C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)C
InChI
InChI=1S/C35H56N6O7/c1-20(2)16-25(38-35(48)31(22(5)6)40-34(47)28-14-11-15-41(28)23(7)42)29(43)19-30(44)37-27(17-21(3)4)33(46)39-26(32(36)45)18-24-12-9-8-10-13-24/h8-10,12-13,20-22,25-29,31,43H,11,14-19H2,1-7H3,(H2,36,45)(H,37,44)(H,38,48)(H,39,46)(H,40,47)/t25-,26-,27-,28-,29-,31-/m0/s1
InChIKey
RWQMKRWCLNCRSO-TXDSBXPGSA-N
Compound name
(2S)-1-acetyl-N-[(2S)-1-[[(3S,4S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

672.421 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 673.42828 257.8
[M+Na]+ 695.41022 258.3
[M-H]- 671.41372 262.2
[M+NH4]+ 690.45482 251.3
[M+K]+ 711.38416 253.7
[M+H-H2O]+ 655.41826 235.9
[M+HCOO]- 717.41920 214.7
[M+CH3COO]- 731.43485 289.6
[M+Na-2H]- 693.39567 288.7
[M]+ 672.42045 298.4
[M]- 672.42155 298.4
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

No patent data available for this compound.