CID 484271

(2r)-2-[[2-[[2-[[2-[[2-[[2-(6-aminohexylamino)acetyl]-(3-guanidinopropyl)amino]acetyl]-(3-guanidinopropyl)amino]acetyl]-(cyclopropylmethyl)amino]acetyl]-(3-guanidinopropyl)amino]acetyl]amino]-5-guanidino-pentanamide

Structural Information

Molecular Formula
C38H76N20O6
SMILES
C1CC1CN(CC(=O)N(CCCN=C(N)N)CC(=O)N[C@H](CCCN=C(N)N)C(=O)N)C(=O)CN(CCCN=C(N)N)C(=O)CN(CCCN=C(N)N)C(=O)CNCCCCCCN
InChI
InChI=1S/C38H76N20O6/c39-12-3-1-2-4-13-49-21-30(60)56(19-7-16-52-37(45)46)24-31(61)57(20-8-17-53-38(47)48)25-33(63)58(22-27-10-11-27)26-32(62)55(18-6-15-51-36(43)44)23-29(59)54-28(34(40)64)9-5-14-50-35(41)42/h27-28,49H,1-26,39H2,(H2,40,64)(H,54,59)(H4,41,42,50)(H4,43,44,51)(H4,45,46,52)(H4,47,48,53)/t28-/m1/s1
InChIKey
MBIZBCUNHAGICK-MUUNZHRXSA-N
Compound name
(2R)-2-[[2-[[2-[[2-[[2-[[2-(6-aminohexylamino)acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-(cyclopropylmethyl)amino]acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

908.6257 Da
Monoisotopic Mass

-6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 909.63298 261.8
[M+Na]+ 931.61492 255.1
[M-H]- 907.61842 263.1
[M+NH4]+ 926.65952 262.0
[M+K]+ 947.58886 262.0
[M+H-H2O]+ 891.62296 241.2
[M+HCOO]- 953.62390 261.8
[M+CH3COO]- 967.63955 263.8
[M+Na-2H]- 929.60037 312.2
[M]+ 908.62515 290.5
[M]- 908.62625 290.5
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.