Found 6 results

Search term: MF = 'C_{48}H_{69}N_{13}O_{11}S_{2}'
ChemSpider 2D Image | 1-{[(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-13-benzyl-16-(4-hydroxybenzyl)-10-isopropyl-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-D-ar ginylglycinamide | C48H69N13O11S2

1-{[(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-13-benzyl-16-(4-hydroxybenzyl)-10-isopropyl-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-D-ar ginylglycinamide

  • Molecular FormulaC48H69N13O11S2
  • Average mass1068.272 Da
  • Monoisotopic mass1067.468140 Da
  • ChemSpider ID32815534

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

1-{[(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-13-benzyl-16-(4-hydroxybenzyl)-10-isopropyl-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-D-ar ginylglycinamid [German] [ACD/IUPAC Name]
1-{[(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-13-benzyl-16-(4-hydroxybenzyl)-10-isopropyl-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-D-ar ginylglycinamide [ACD/IUPAC Name]
1-{[(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoéthyl)-13-benzyl-16-(4-hydroxybenzyl)-10-isopropyl-20,20-diméthyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-D-ar ginylglycinamide [French] [ACD/IUPAC Name]
64158-84-5 [RN]
Glycinamide, 1-[[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-16-[(4-hydroxyphenyl)methyl]-20,20-dimethyl-10-(1-methylethyl)-6,9,12,15,18-pentaoxo-13-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentaazacyclo eicos-4-yl]carbonyl]-L-prolyl-D-arginyl- [ACD/Index Name]
(2S)-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-20,20-dimethyl-6,9,12,15,18-pentaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
(Deamino-Pen1,Val4,D-Arg8)-Vasopressin
[DEAMINO-PEN1VAL4DARG8]VASOPRESSIN
3-MERCAPTO-3-METHYL-BUTYRYL-TYR-PHE-VAL-ASN-CYS-PRO-D-ARG-GLY-NH2
A D VASOPRESSIN

    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: 1.683
    Molar Refractivity: 274.4±0.5 cm3
    #H bond acceptors: 24
    #H bond donors: 16
    #Freely Rotating Bonds: 18
    #Rule of 5 Violations: 3
    ACD/LogP: -2.52
    ACD/LogD (pH 5.5): -4.26
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.26
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 443 Å2
    Polarizability: 108.8±0.5 10-24cm3
    Surface Tension: 65.0±7.0 dyne/cm
    Molar Volume: 724.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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