CID 467978

198904-21-1

Structural Information

Molecular Formula
C37H55N9O7
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=NN(N=N3)C(C)(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC
InChI
InChI=1S/C37H55N9O7/c1-23(2)29(39-34(50)52-9)32(48)38-27(20-24-14-12-11-13-15-24)28(47)22-45(43-33(49)30(36(3,4)5)40-35(51)53-10)21-25-16-18-26(19-17-25)31-41-44-46(42-31)37(6,7)8/h11-19,23,27-30,47H,20-22H2,1-10H3,(H,38,48)(H,39,50)(H,40,51)(H,43,49)/t27-,28-,29-,30+/m0/s1
InChIKey
OUEPRMVTAHFWLN-GCXHJFECSA-N
Compound name
methyl N-[(2S)-1-[2-[[4-(2-tert-butyltetrazol-5-yl)phenyl]methyl]-2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

737.4224 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 738.42968 257.9
[M+Na]+ 760.41162 261.8
[M-H]- 736.41512 257.4
[M+NH4]+ 755.45622 260.1
[M+K]+ 776.38556 250.1
[M+H-H2O]+ 720.41966 234.1
[M+HCOO]- 782.42060 261.0
[M+CH3COO]- 796.43625 297.3
[M+Na-2H]- 758.39707 278.0
[M]+ 737.42185 294.6
[M]- 737.42295 294.6
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.