chempirical

1169630-40-3

C39H66N4O15CAS 1169630-40-3830.97 g/mol

Open in Covalent MOL file
ONOOOOOHNOOOHNOOHOHNOOOH
AmideCarboxylic acidEtherLactam

Properties

Molecular formula
C39H66N4O15
Molar mass
830.97 g/mol
Exact mass
830.4525 Da
logP
2.57Crippen estimate
Polar surface area
262.5 Ų
H-bond donors / acceptors
5 / 13
Rotatable bonds
39
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
1169630-40-3
SMILES
C1CC(=O)N(C1=O)OC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCCCC(=O)O
InChIKey
DVGUZQKRMQLDDD-HKBQPEDESA-N
InChI
InChI=1S/C39H66N4O15/c44-32(18-17-31(39(52)53)42-33(45)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-37(49)50)40-21-23-54-25-27-56-29-34(46)41-22-24-55-26-28-57-30-38(51)58-43-35(47)19-20-36(43)48/h31H,1-30H2,(H,40,44)(H,41,46)(H,42,45)(H,49,50)(H,52,53)/t31-/m0/s1

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Names and synonyms

1 names
  • (22S)-22-Carboxy-1-((2,5-dioxo-1-pyrrolidinyl)oxy)-1,10,19,24-tetraoxo-3,6,12,15-tetraoxa-9,18,23-triazahentetracontan-41-oic acid

Work with 1169630-40-3

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

(S)-22-(tert-Butoxycarbonyl)-10,19,24-trioxo-3,6,12,15-tetraoxa-9,18,23-triazahentetracontane-1,41-dioic acid1118767-16-055 % similar Semaglutide910463-68-255 % similar Sodium N-lauroylglutamate29923-31-735 % similar Sodium stearoyl glutamate38517-23-635 % similar N-Myristoyl-L-glutamic acid sodium salt38517-37-235 % similar Carbamylglutamic acid1188-38-133 % similar Bis-pe21- nhs ester1008402-79-632 % similar Disuccinimidyl suberate68528-80-331 % similar

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

Elsewhere

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