ChemSpider 2D Image | (8S,9S,12S,15S,18S,21S,27S)-21-(3-Carbamimidamidopropyl)-12-isobutyl-8,15-diisopropyl-10,13,16,19,22,25-hexaoxo-9-[(5-oxo-L-prolyl)amino]-2,11,14,17,20,23,26,30,32-nonaazapentacyclo[16.14.2.1~3,7~.1~2 9,32~.0~4,33~]hexatriaconta-1(33),3(36),4,6,29(35),30-hexaene-27-carboxylic acid | C47H66N14O10

(8S,9S,12S,15S,18S,21S,27S)-21-(3-Carbamimidamidopropyl)-12-isobutyl-8,15-diisopropyl-10,13,16,19,22,25-hexaoxo-9-[(5-oxo-L-prolyl)amino]-2,11,14,17,20,23,26,30,32-nonaazapentacyclo[16.14.2.13,7.12 9,32.04,33]hexatriaconta-1(33),3(36),4,6,29(35),30-hexaene-27-carboxylic acid

  • Molecular FormulaC47H66N14O10
  • Average mass987.115 Da
  • Monoisotopic mass986.508606 Da
  • ChemSpider ID23217969

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(8S,9S,12S,15S,18S,21S,27S)-21-(3-Carbamimidamidopropyl)-12-isobutyl-8,15-diisopropyl-10,13,16,19,22,25-hexaoxo-9-[(5-oxo-L-prolyl)amino]-2,11,14,17,20,23,26,30,32-nonaazapentacyclo[16.14.2.13,7.12 9,32.04,33]hexatriaconta-1(33),3(36),4,6,29(35),30-hexaen-27-carbonsäure [German] [ACD/IUPAC Name]
(8S,9S,12S,15S,18S,21S,27S)-21-(3-Carbamimidamidopropyl)-12-isobutyl-8,15-diisopropyl-10,13,16,19,22,25-hexaoxo-9-[(5-oxo-L-prolyl)amino]-2,11,14,17,20,23,26,30,32-nonaazapentacyclo[16.14.2.13,7.12 9,32.04,33]hexatriaconta-1(33),3(36),4,6,29(35),30-hexaene-27-carboxylic acid [ACD/IUPAC Name]
(8S,9S,12S,15S,18S,21S,27S)-21-{3-[(diaminomethylidene)amino]propyl}-12-(2-methylpropyl)-10,13,16,19,22,25-hexaoxo-9-({[(2S)-5-oxopyrrolidin-2-yl]carbonyl}amino)-8,15-di(propan-2-yl)-2,11,14,17,20,23,26,30,32-nonaazapentacyclo[16.14.2.13,7.129,32.04,33]hexatriaconta-1(33),3(36),4,6,29(35),30-hexaene-27-carboxylic acid (non-preferred name)
Acide (8S,9S,12S,15S,18S,21S,27S)-21-(3-carbamimidamidopropyl)-12-isobutyl-8,15-diisopropyl-10,13,16,19,22,25-hexaoxo-9-[(5-oxo-L-prolyl)amino]-2,11,14,17,20,23,26,30,32-nonaazapentacyclo[16.14.2.13, 7.129,32.04,33]hexatriaconta-1(33),3(36),4,6,29(35),30-hexaène-27-carboxylique [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL385762/
Moroidin

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.722
Molar Refractivity: 252.7±0.5 cm3
#H bond acceptors: 24
#H bond donors: 14
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.66
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 368 Å2
Polarizability: 100.2±0.5 10-24cm3
Surface Tension: 65.8±7.0 dyne/cm
Molar Volume: 638.3±7.0 cm3

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