CID 5274931

Tyr-val-val-asn-asp-leu

Structural Information

Molecular Formula
C33H51N7O11
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)N
InChI
InChI=1S/C33H51N7O11/c1-15(2)11-23(33(50)51)38-30(47)22(14-25(43)44)36-29(46)21(13-24(35)42)37-31(48)26(16(3)4)40-32(49)27(17(5)6)39-28(45)20(34)12-18-7-9-19(41)10-8-18/h7-10,15-17,20-23,26-27,41H,11-14,34H2,1-6H3,(H2,35,42)(H,36,46)(H,37,48)(H,38,47)(H,39,45)(H,40,49)(H,43,44)(H,50,51)/t20-,21-,22-,23-,26-,27-/m0/s1
InChIKey
ZNYQTAMEJZLBPF-JJAANBCZSA-N
Compound name
(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

721.3647 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 722.37198 263.1
[M+Na]+ 744.35392 259.4
[M-H]- 720.35742 269.2
[M+NH4]+ 739.39852 265.6
[M+K]+ 760.32786 255.8
[M+H-H2O]+ 704.36196 241.4
[M+HCOO]- 766.36290 266.1
[M+CH3COO]- 780.37855 301.4
[M+Na-2H]- 742.33937 303.1
[M]+ 721.36415 302.9
[M]- 721.36525 302.9
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.