Hexapeptide-9

C24H38N8O9CAS 1228371-11-6582.62 g/mol

Open in Covalent MOL file
NOH2NONHOH2NOHNONOHNONH2OHO
AmideCarboxylic acidPrimary amine

Properties

Molecular formula
C24H38N8O9
Molar mass
582.62 g/mol
Exact mass
582.2762 Da
logP
-4.37Crippen estimate
Polar surface area
277.4 Ų
H-bond donors / acceptors
7 / 9
Rotatable bonds
15
Stereocentres
S, S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1228371-11-6
SMILES
C1C[C@H](N(C1)C(=O)CN)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)N)C(=O)O
InChIKey
OGNHOGPWQTWKGQ-VGWMRTNUSA-N
InChI
InChI=1S/C24H38N8O9/c25-11-19(35)31-9-1-3-15(31)22(38)29-13(5-7-17(26)33)21(37)28-12-20(36)32-10-2-4-16(32)23(39)30-14(24(40)41)6-8-18(27)34/h13-16H,1-12,25H2,(H2,26,33)(H2,27,34)(H,28,37)(H,29,38)(H,30,39)(H,40,41)/t13-,14-,15-,16-/m0/s1

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Names and synonyms

1 names
  • Hexapeptide 9

Work with Hexapeptide-9

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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