ChemSpider 2D Image | [(7S,13S)-13-{3-[(Diaminomethylene)amino]propyl}-14-methyl-6,9,12,15-tetraoxo-6,7,8,9,10,11,12,13,14,15-decahydro-5H-dibenzo[c,p][1,2,5,8,11,14]dithiatetraazacycloheptadecin-7-yl]acetic acid | C26H31N7O6S2

[(7S,13S)-13-{3-[(Diaminomethylene)amino]propyl}-14-methyl-6,9,12,15-tetraoxo-6,7,8,9,10,11,12,13,14,15-decahydro-5H-dibenzo[c,p][1,2,5,8,11,14]dithiatetraazacycloheptadecin-7-yl]acetic acid

  • Molecular FormulaC26H31N7O6S2
  • Average mass601.698 Da
  • Monoisotopic mass601.177734 Da
  • ChemSpider ID144129

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(7S,13S)-13-{3-[(Diaminomethylen)amino]propyl}-14-methyl-6,9,12,15-tetraoxo-6,7,8,9,10,11,12,13,14,15-decahydro-5H-dibenzo[c,p][1,2,5,8,11,14]dithiatetraazacycloheptadecin-7-yl]essigsäure [German] [ACD/IUPAC Name]
[(7S,13S)-13-{3-[(Diaminomethylene)amino]propyl}-14-methyl-6,9,12,15-tetraoxo-6,7,8,9,10,11,12,13,14,15-decahydro-5H-dibenzo[c,p][1,2,5,8,11,14]dithiatetraazacycloheptadecin-7-yl]acetic acid [ACD/IUPAC Name]
5H-Dibenzo[c,p][1,2,5,8,11,14]dithiatetraazacycloheptadecine-7-acetic acid, 13-[3-[(diaminomethylene)amino]propyl]-6,7,8,9,10,11,12,13,14,15-decahydro-14-methyl-6,9,12,15-tetraoxo-, (7S,13S)- [ACD/Index Name]
Acide [(7S,13S)-13-{3-[(diaminométhylène)amino]propyl}-14-méthyl-6,9,12,15-tétraoxo-6,7,8,9,10,11,12,13,14,15-décahydro-5H-dibenzo[c,p][1,2,5,8,11,14]dithiatétraazacycloheptadécin-7-yl]acétique [French] [ACD/IUPAC Name]
[(12S,18S)-18-{3-[(DIAMINOMETHYLIDENE)AMINO]PROPYL}-19-METHYL-11,14,17,20-TETRAOXO-2,3-DITHIA-10,13,16,19-TETRAAZATRICYCLO[19.4.0.0?,?]PENTACOSA-1(25),4,6,8,21,23-HEXAEN-12-YL]ACETIC ACID
[(6S,13S)-13-(3-Guanidino-propyl)-14-methyl-6,9,12,15-tetraoxo-6,7,8,9,10,11,12,13,14,15-decahydro-5H-20,21-dithia-5,8,11,14-tetraaza-dibenzo[a,e]cycloheptadecen-7-yl]-acetic acid
[(7S,13S)-13-(3-Guanidino-propyl)-14-methyl-6,9,12,15-tetraoxo-6,7,8,9,10,11,12,13,14,15-decahydro-5H-20,21-dithia-5,8,11,14-tetraaza-dibenzo[a,e]cycloheptadecen-7-yl]-acetic acid
[(7S,13S)-13-{3-[(diaminomethylidene)amino]propyl}-14-methyl-6,9,12,15-tetraoxo-6,7,8,9,10,11,12,13,14,15-decahydro-5H-dibenzo[c,p][1,2,5,8,11,14]dithiatetraazacycloheptadecin-7-yl]acetic acid
[13-(3-Guanidino-propyl)-14-methyl-6,9,12,15-tetraoxo-6,7,8,9,10,11,12,13,14,15-decahydro-5H-20,21-dithia-5,8,11,14-tetraaza-dibenzo[a,e]cycloheptadecen-7-yl]-acetic acid (SK&F 107260)
136620-00-3 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Skf 107260 [DBID]

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: 1.704
Molar Refractivity: 155.3±0.5 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -1.79
ACD/LogD (pH 5.5): -3.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 260 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 67.7±7.0 dyne/cm
Molar Volume: 399.8±7.0 cm3

Click to predict properties on the Chemicalize site


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