CID 471370

Ac-phe-leu-sta-leu-phe-nh2

Structural Information

Molecular Formula
C40H60N6O7
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](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C
InChI
InChI=1S/C40H60N6O7/c1-24(2)18-30(44-39(52)33(20-26(5)6)46-40(53)34(42-27(7)47)22-29-16-12-9-13-17-29)35(48)23-36(49)43-32(19-25(3)4)38(51)45-31(37(41)50)21-28-14-10-8-11-15-28/h8-17,24-26,30-35,48H,18-23H2,1-7H3,(H2,41,50)(H,42,47)(H,43,49)(H,44,52)(H,45,51)(H,46,53)/t30-,31-,32-,33-,34-,35-/m0/s1
InChIKey
AUVJDXDXAANLMZ-LBBUGJAGSA-N
Compound name
(3S,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-hydroxy-6-methylheptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

736.45233 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 737.45961 272.5
[M+Na]+ 759.44155 273.7
[M-H]- 735.44505 279.0
[M+NH4]+ 754.48615 253.5
[M+K]+ 775.41549 266.2
[M+H-H2O]+ 719.44959 250.0
[M+HCOO]- 781.45053 277.2
[M+CH3COO]- 795.46618 304.0
[M+Na-2H]- 757.42700 310.9
[M]+ 736.45178 320.7
[M]- 736.45288 320.7
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.