Glycyl-L-prolyl-L-arginyl-L-prolyl-L-alaninamide

C21H37N9O5CAS 135679-88-8495.59 g/mol

Open in Covalent MOL file
OH2NNHONONNH2NH2HNONOH2N
AmideGuanidinePrimary amine

Properties

Molecular formula
C21H37N9O5
Molar mass
495.59 g/mol
Exact mass
495.2918 Da
logP
-3.54Crippen estimate
Polar surface area
232.3 Ų
H-bond donors / acceptors
6 / 7
Rotatable bonds
11
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
135679-88-8
SMILES
C[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)CN
InChIKey
BYWJFRMLHFQWSR-AJNGGQMLSA-N
InChI
InChI=1S/C21H37N9O5/c1-12(17(23)32)27-18(33)15-7-4-10-30(15)20(35)13(5-2-8-26-21(24)25)28-19(34)14-6-3-9-29(14)16(31)11-22/h12-15H,2-11,22H2,1H3,(H2,23,32)(H,27,33)(H,28,34)(H4,24,25,26)/t12-,13-,14-,15-/m0/s1

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Names and synonyms

1 names
  • Pentapeptide-3

Work with Glycyl-L-prolyl-L-arginyl-L-prolyl-L-alaninamide

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.

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Elsewhere

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