chempirical

Elastins

C27H48N6O6CAS 9007-58-3552.72 g/mol

Open in Covalent MOL file
ONHONHONONHHNONHO
Amide

Properties

Molecular formula
C27H48N6O6
Molar mass
552.72 g/mol
Exact mass
552.3635 Da
logP
0.06Crippen estimate
Polar surface area
165.8 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
14
Stereocentres
S, 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. Search the SDS library

Identifiers

CAS number
9007-58-3
SMILES
CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC)NC(=O)[C@H](CC(C)C)NC(=O)C
InChIKey
DPUYCSDGMSDKKV-MKBYFEBXSA-N
InChI
InChI=1S/C27H48N6O6/c1-9-17(6)23(32-24(36)19(13-15(2)3)30-18(7)34)26(38)29-14-21(35)31-22(16(4)5)27(39)33-12-10-11-20(33)25(37)28-8/h15-17,19-20,22-23H,9-14H2,1-8H3,(H,28,37)(H,29,38)(H,30,34)(H,31,35)(H,32,36)/t17-,19-,20-,22-,23-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Elastin
  • E 91 (Elastin)
  • E 91
  • Elastin E60
  • Bovine aortic elastin SB87

Work with Elastins

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

Similar compounds

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook