4-{2-[20-(3-Amino-1-hydroxy-3-oxopropyl)-9-[(10,12-dimethyltetradecanoyl)amino]-2,11,12,15-tetrahydroxy-6-(1-hydroxyethyl)-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-23-yl]-1,2-dihydroxyethyl}phenyl β-alaninate hydrochloride (1:1)

Names

[ CAS No. ]:
138661-18-4

[ Name ]:
4-{2-[20-(3-Amino-1-hydroxy-3-oxopropyl)-9-[(10,12-dimethyltetradecanoyl)amino]-2,11,12,15-tetrahydroxy-6-(1-hydroxyethyl)-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-23-yl]-1,2-dihydroxyethyl}phenyl β-alaninate hydrochloride (1:1)

[Synonym ]:
L-688,786 prodrug-8g
β-Alanine, 4-[2-[20-(3-amino-1-hydroxy-3-oxopropyl)-9-[(10,12-dimethyl-1-oxotetradecyl)amino]tetracosahydro-2,11,12,15-tetrahydroxy-6-(1-hydroxyethyl)-5,8,14,19,22,25-hexaoxo-1H-dipyrrolo[2,1-c:2', 1'-l][1,4,7,10,13,16]hexaazacycloheneicosin-23-yl]-1,2-dihydroxyethyl]phenyl ester, hydrochloride (1:1)
cyclic (6(R)1)-peptide,4-ester with b-alanine,monohydrochloride,trans
L-Proline,N-(10,12-dimethyl-1-oxotetradecyl)-(4R,5R)-4,5-dihydroxy-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonyl-threo-3-hydroxy-L-glutaminyl-3-hydroxy-,cyclic (6y1)-peptide,4-ester with b-alanine,monohydrochloride,trans
4-{2-[20-(3-Amino-1-hydroxy-3-oxopropyl)-9-[(10,12-dimethyltetradecanoyl)amino]-2,11,12,15-tetrahydroxy-6-(1-hydroxyethyl)-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13 ;,16]hexaazacyclohenicosin-23-yl]-1,2-dihydroxyethyl}phenyl β-alaninate hydrochloride (1:1)

Chemical & Physical Properties

[ Boiling Point ]:
1464.7ºC at 760 mmHg

[ Molecular Formula ]:
C53H86ClN9O18

[ Molecular Weight ]:
1172.75000

[ Flash Point ]:
839.6ºC

[ Exact Mass ]:
1171.58000

[ PSA ]:
461.81000

[ LogP ]:
0.67900

[ Vapour Pressure ]:
0mmHg at 25°C