L-Leucinamide, L-tyrosyl-D-alanylglycyl-L-phenylalanyl-N-(6-(2,3,5,6,8,9,11,12-octahydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)-6-oxohexyl)-, monohydrochloride

Base Information

• Chemical Name: L-Leucinamide, L-tyrosyl-D-alanylglycyl-L-phenylalanyl-N-(6-(2,3,5,6,8,9,11,12-octahydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)-6-oxohexyl)-, monohydrochloride
• CAS No.: 145594-25-8
• Molecular Formula: C49H69 N7 O11 . Cl H
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID00163104
• Mol file: 145594-25-8.mol

Synonyms:145594-25-8;L-Leucinamide, L-tyrosyl-D-alanylglycyl-L-phenylalanyl-N-(6-(2,3,5,6,8,9,11,12-octahydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)-6-oxohexyl)-, monohydrochloride;N-(Tyrosyl-D-alanylglycylphenylalanylylleucyl-6-aminohexanoyl)-benzoaza-15-crown-5 HCl;(2S)-N-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]-4-methyl-2-[[6-oxo-6-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)hexyl]amino]pentanamide;hydrochloride;DTXSID00163104;RERHSZDNBNQPNR-RKCLFCSSSA-N;LS-87800

Chemical Property of L-Leucinamide, L-tyrosyl-D-alanylglycyl-L-phenylalanyl-N-(6-(2,3,5,6,8,9,11,12-octahydro-7H-1,4,10,13,7-benzotetraoxaazacyclopentadecin-7-yl)-6-oxohexyl)-, monohydrochloride

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1157°Cat760mmHg
• Flash Point: 653.5°C
• PSA: 262.94000
• Density: g/cm³
• LogP: 7.34340
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 21
• Exact Mass: 967.4821838
• Heavy Atom Count: 68
• Complexity: 1470

Purity/Quality:

99% ^*data from raw suppliers

L-TYROSYL-D-ALANYLGLYCYL-L-PHENYLALANYL-N-[6-(2,3,5,6,8,9,11,12-OCTAHYDRO-7H-1,4,10,13,7-BENZOTETRAOXAZACYCLOPENTADECIN-7-YL)-6-OXOHEXYL]-L-LEUCINAMIDE HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(=O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)N)NCCCCCC(=O)N3CCOCCOC4=CC=CC=C4OCCOCC3.Cl
• Isomeric SMILES: C[C@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC(=O)[C@H](CC(C)C)NCCCCCC(=O)N2CCOCCOC3=CC=CC=C3OCCOCC2)NC(=O)[C@H](CC4=CC=C(C=C4)O)N.Cl