CID 482173

H-gly-trp-arg-leu-leu-oh

Structural Information

Molecular Formula
C31H49N9O6
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)CN
InChI
InChI=1S/C31H49N9O6/c1-17(2)12-23(28(43)40-25(30(45)46)13-18(3)4)39-27(42)22(10-7-11-35-31(33)34)38-29(44)24(37-26(41)15-32)14-19-16-36-21-9-6-5-8-20(19)21/h5-6,8-9,16-18,22-25,36H,7,10-15,32H2,1-4H3,(H,37,41)(H,38,44)(H,39,42)(H,40,43)(H,45,46)(H4,33,34,35)/t22-,23-,24-,25-/m0/s1
InChIKey
OWCNQABQKAFRHG-QORCZRPOSA-N
Compound name
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

643.38055 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 644.38783 252.1
[M+Na]+ 666.36977 252.2
[M-H]- 642.37327 254.3
[M+NH4]+ 661.41437 255.2
[M+K]+ 682.34371 252.9
[M+H-H2O]+ 626.37781 231.3
[M+HCOO]- 688.37875 255.9
[M+CH3COO]- 702.39440 290.9
[M+Na-2H]- 664.35522 285.0
[M]+ 643.38000 294.1
[M]- 643.38110 294.1
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.