CID 451640

Saa-10-vv-ome

Structural Information

Molecular Formula
C30H49N6O10P
SMILES
C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)P(=O)(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)O)NC(=O)[C@H](C)NC(=O)[C@H](CO)N
InChI
InChI=1S/C30H49N6O10P/c1-16(2)24(29(42)36-25(17(3)4)30(43)46-7)34-22(38)15-47(44,45)23(13-20-11-9-8-10-12-20)35-27(40)19(6)32-26(39)18(5)33-28(41)21(31)14-37/h8-12,16-19,21,23-25,37H,13-15,31H2,1-7H3,(H,32,39)(H,33,41)(H,34,38)(H,35,40)(H,36,42)(H,44,45)/t18-,19-,21-,23+,24-,25-/m0/s1
InChIKey
KWOGWDMYILKDND-ZLBQLAPWSA-N
Compound name
[(1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-phenylethyl]-[2-[[(2S)-1-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

684.32477 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 685.33205 244.1
[M+Na]+ 707.31399 243.5
[M-H]- 683.31749 250.0
[M+NH4]+ 702.35859 247.2
[M+K]+ 723.28793 237.6
[M+H-H2O]+ 667.32203 223.4
[M+HCOO]- 729.32297 248.4
[M+CH3COO]- 743.33862 290.2
[M+Na-2H]- 705.29944 280.2
[M]+ 684.32422 279.2
[M]- 684.32532 279.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.