CID 497872

Fvfr-nh2

Structural Information

Molecular Formula
C29H42N8O4
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)N
InChI
InChI=1S/C29H42N8O4/c1-18(2)24(37-26(39)21(30)16-19-10-5-3-6-11-19)28(41)36-23(17-20-12-7-4-8-13-20)27(40)35-22(25(31)38)14-9-15-34-29(32)33/h3-8,10-13,18,21-24H,9,14-17,30H2,1-2H3,(H2,31,38)(H,35,40)(H,36,41)(H,37,39)(H4,32,33,34)/t21-,22-,23-,24-/m0/s1
InChIKey
PEGHUFFZWUJHEC-ZJZGAYNASA-N
Compound name
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

566.3329 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.34018 238.8
[M+Na]+ 589.32212 231.1
[M-H]- 565.32562 242.2
[M+NH4]+ 584.36672 238.3
[M+K]+ 605.29606 233.5
[M+H-H2O]+ 549.33016 227.0
[M+HCOO]- 611.33110 257.0
[M+CH3COO]- 625.34675 279.3
[M+Na-2H]- 587.30757 280.4
[M]+ 566.33235 231.4
[M]- 566.33345 231.4
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.