ChemSpider 2D Image | L-Lysyl-L-arginyl-L-prolyl-(4R)-4-hydroxy-L-prolyl-N-[(1S)-2-{[(2S)-1-{[(3S)-5-(carboxymethyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl]amino}-3-hydroxy-1-oxo-2-propanyl]amino}-1-(2,3-dihydro- 1H-inden-2-yl)-2-oxoethyl]glycinamide | C49H69N13O12S

L-Lysyl-L-arginyl-L-prolyl-(4R)-4-hydroxy-L-prolyl-N-[(1S)-2-{[(2S)-1-{[(3S)-5-(carboxymethyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl]amino}-3-hydroxy-1-oxo-2-propanyl]amino}-1-(2,3-dihydro- 1H-inden-2-yl)-2-oxoethyl]glycinamide

  • Molecular FormulaC49H69N13O12S
  • Average mass1064.217 Da
  • Monoisotopic mass1063.490967 Da
  • ChemSpider ID31103871

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

284037-77-0 [RN]
Glycinamide, L-lysyl-L-arginyl-L-prolyl-(4R)-4-hydroxy-L-prolyl-N-[(1S)-2-[[(1S)-2-[[(3S)-5-(carboxymethyl)-2,3,4,5-tetrahydro-4-oxo-1,5-benzothiazepin-3-yl]amino]-1-(hydroxymethyl)-2-oxoethyl]amino]- 1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]- [ACD/Index Name]
L-Lysyl-L-arginyl-L-prolyl-(4R)-4-hydroxy-L-prolyl-N-[(1S)-2-{[(2S)-1-{[(3S)-5-(carboxymethyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl]amino}-3-hydroxy-1-oxo-2-propanyl]amino}-1-(2,3-dihydro- 1H-inden-2-yl)-2-oxoethyl]glycinamid [German] [ACD/IUPAC Name]
L-Lysyl-L-arginyl-L-prolyl-(4R)-4-hydroxy-L-prolyl-N-[(1S)-2-{[(2S)-1-{[(3S)-5-(carboxymethyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl]amino}-3-hydroxy-1-oxo-2-propanyl]amino}-1-(2,3-dihydro- 1H-inden-2-yl)-2-oxoethyl]glycinamide [ACD/IUPAC Name]
L-Lysyl-L-arginyl-L-prolyl-(4R)-4-hydroxy-L-prolyl-N-[(1S)-2-{[(2S)-1-{[(3S)-5-(carboxyméthyl)-4-oxo-2,3,4,5-tétrahydro-1,5-benzothiazépin-3-yl]amino}-3-hydroxy-1-oxo-2-propanyl]amino}-1-(2,3-dihydro- 1H-indén-2-yl)-2-oxoéthyl]glycinamide [French] [ACD/IUPAC Name]
L-Lysyl-N5-(diaminométhylène)-L-ornithyl-L-prolyl-(4R)-4-hydroxy-L-prolyl-N-[(1S)-2-{[(2S)-1-{[(3S)-5-(carboxyméthyl)-4-oxo-2,3,4,5-tétrahydro-1,5-benzothiazépin-3-yl]amino}-3-hydroxy-1-oxo-2-propan yl]amino}-1-(2,3-dihydro-1H-indén-2-yl)-2-oxoéthyl]glycinamide [French] [ACD/IUPAC Name]
2-[(3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3085458/
JMV-1645
L-Serinamide, L-lysyl-L-arginyl-L-prolyl-(4R)-4-hydroxy-L-prolylglycyl-(2S)-2-(2,3-dihydro-1H-inden-2-yl)glycyl-N-((3S)-5-(carboxymethyl)-2,3,4,5-tetrahydro-4-oxo-1,5-benzothiazepin-3-yl)-

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

8PY38JSG1Y [DBID]
UNII:8PY38JSG1Y [DBID]
UNII-8PY38JSG1Y [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.727
Molar Refractivity: 269.0±0.5 cm3
#H bond acceptors: 25
#H bond donors: 16
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: -1.51
ACD/LogD (pH 5.5): -7.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 426 Å2
Polarizability: 106.6±0.5 10-24cm3
Surface Tension: 74.3±7.0 dyne/cm
Molar Volume: 676.0±7.0 cm3

Click to predict properties on the Chemicalize site


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