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Substance Name: A 65317
RN: 122224-84-4
UNII: 4DEV5X6A19
InChIKey: JZRFAIHFMIECQR-AJISXOSTSA-N

Molecular Formula

  • C38-H58-N6-O9

Molecular Weight

  • 742.9092
 
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Names and Synonyms

Name of Substance

  • A 65317

Synonyms

  • 2-Benzyl-3-((2-methoxyethoxymethoxyethyl)methylaminocarbonyl)propionyl-L-histidine-3-ethyl-5-(1'-hydroxy-2'-amino-3'-cyclohexylpropyl)oxazolidin-2-one amide
  • A-65317
  • UNII-4DEV5X6A19

Systematic Name

  • 1H-Imidazole-4-propanamide, N-(1-(cyclohexylmethyl)-2-(3-ethyl-2-oxo-5-oxazolidinyl)-2-hydroxyethyl)-alpha-((5-methyl-1,4-dioxo-2-(phenylmethyl)-8,10,13-trioxa-5-azatetradec-1-yl)amino)-, (5S-(5R*(1R*(R*(S*)),2S*)))-

Registry Numbers

CAS Registry Number

  • 122224-84-4

FDA UNII

  • 4DEV5X6A19

System Generated Number

  • 0122224844

Structure Descriptors

InChI

1S/C38H58N6O9/c1-4-44-24-33(53-38(44)49)35(46)31(20-28-13-9-6-10-14-28)41-37(48)32(22-30-23-39-25-40-30)42-36(47)29(19-27-11-7-5-8-12-27)21-34(45)43(2)15-16-51-26-52-18-17-50-3/h5,7-8,11-12,23,25,28-29,31-33,35,46H,4,6,9-10,13-22,24,26H2,1-3H3,(H,39,40)(H,41,48)(H,42,47)/t29-,31+,32+,33+,35-/m1/s1

InChIKey

JZRFAIHFMIECQR-AJISXOSTSA-N

Smiles

CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@@H](CC(=O)N(C)CCOCOCCOC)Cc4ccccc4

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.21 (none)   EXP
Water Solubility 0.235 mg/L 25 EST
Vapor Pressure 6.48E-33 mm Hg 25 EST
Henry's Law Constant 8.94E-36 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.43E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.