Found 1 result

Search term: CC(C)ON([C@H](CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCC[C@H](N(OC(C)C)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | N-(4-{[(3R)-3-[(4-Biphenylylsulfonyl)(isopropoxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)-N'-(4-{[(3S)-3-[(4-biphenylylsulfonyl)(isopropoxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxo butyl)isophthalamide | C54H66N8O14S2

N-(4-{[(3R)-3-[(4-Biphenylylsulfonyl)(isopropoxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)-N'-(4-{[(3S)-3-[(4-biphenylylsulfonyl)(isopropoxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxo butyl)isophthalamide

  • Molecular FormulaC54H66N8O14S2
  • Average mass1115.277 Da
  • Monoisotopic mass1114.413940 Da
  • ChemSpider ID9832893

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,3-Benzenedicarboxamide, N1-[4-[[(3R)-3-[([1,1'-biphenyl]-4-ylsulfonyl)(1-methylethoxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino]-4-oxobutyl]-N3-[4-[[(3S)-3-[([1,1'-biphenyl]-4-ylsulfonyl)(1-methy lethoxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino]-4-oxobutyl]- [ACD/Index Name]
N-(4-{[(3R)-3-[(4-Biphénylylsulfonyl)(isopropoxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)-N'-(4-{[(3S)-3-[(4-biphénylylsulfonyl)(isopropoxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxo butyl)isophtalamide [French] [ACD/IUPAC Name]
N-(4-{[(3R)-3-[(4-Biphenylylsulfonyl)(isopropoxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)-N'-(4-{[(3S)-3-[(4-biphenylylsulfonyl)(isopropoxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxo butyl)isophthalamid [German] [ACD/IUPAC Name]
N-(4-{[(3R)-3-[(4-Biphenylylsulfonyl)(isopropoxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)-N'-(4-{[(3S)-3-[(4-biphenylylsulfonyl)(isopropoxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxo butyl)isophthalamide [ACD/IUPAC Name]
N-(4-{[(3r)-3-[(Biphenyl-4-Ylsulfonyl)(Propan-2-Yloxy)amino]-4-(Hydroxyamino)-4-Oxobutyl]amino}-4-Oxobutyl)-N'-(4-{[(3s)-3-[(Biphenyl-4-Ylsulfonyl)(Propan-2-Yloxy)amino]-4-(Hydroxyamino)-4-Oxobutyl]amino}-4-Oxobutyl)benzene-1,3-Dicarboxamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.600
Molar Refractivity: 291.2±0.4 cm3
#H bond acceptors: 22
#H bond donors: 8
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 3
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.50
ACD/KOC (pH 5.5): 738.95
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 70.03
ACD/KOC (pH 7.4): 723.77
Polar Surface Area: 325 Å2
Polarizability: 115.4±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 850.7±3.0 cm3

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