2-Oxa-5,8,14-triazapentadecan-15-oic acid, 12-hydroxy-7-(1-methylethyl)-6,9-dioxo-10,13-bis(phenylmethyl)-, 1,1-dimethylethyl ester, (7S-(7R*,10S*,12R*,13R*))-

Base Information

• Chemical Name: 2-Oxa-5,8,14-triazapentadecan-15-oic acid, 12-hydroxy-7-(1-methylethyl)-6,9-dioxo-10,13-bis(phenylmethyl)-, 1,1-dimethylethyl ester, (7S-(7R*,10S*,12R*,13R*))-
• CAS No.: 178047-79-5
• Molecular Formula: C32H47N3O6
• Molecular Weight: 569.7321
• DSSTox Substance ID: DTXSID20170416
• Nikkaji Number: J769.836D
• Wikidata: Q83040333

Synonyms:178047-79-5;2-Oxa-5,8,14-triazapentadecan-15-oic acid, 12-hydroxy-7-(1-methylethyl)-6,9-dioxo-10,13-bis(phenylmethyl)-, 1,1-dimethylethyl ester, (7S-(7R*,10S*,12R*,13R*))-;2-Oxa-5,8,14-triazapentadecan-15-oic acid, 12-hydroxy-7-(1-methylethyl)-6,9-dioxo-10,13-bis(phenylmethyl)-, 1,1-dimethylethyl ester, [7S-(7R*,10S*,12R*,13R*)]-;DTXSID20170416;[(1S,2S,4R)-2-Hydroxy-5-[[(S)-2-methyl-1-[[(2-methoxyethyl)amino]carbonyl]propyl]amino]-5-oxo-1,4-dibenzylpentyl]carbamic acid tert-butyl ester;tert-butyl N-[(1S,2S,4R)-1,4-dibenzyl-2-hydroxy-5-[[(1S)-1-(2-methoxyethylcarbamoyl)-2-methyl-propyl]amino]-5-oxo-pentyl]carbamate

Chemical Property of 2-Oxa-5,8,14-triazapentadecan-15-oic acid, 12-hydroxy-7-(1-methylethyl)-6,9-dioxo-10,13-bis(phenylmethyl)-, 1,1-dimethylethyl ester, (7S-(7R*,10S*,12R*,13R*))-

Chemical Property:

• Vapor Pressure: 1.24E-26mmHg at 25°C
• Boiling Point: 794.7°C at 760 mmHg
• Flash Point: 434.4°C
• Density: 1.117g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 17
• Exact Mass: 569.34648623
• Heavy Atom Count: 41
• Complexity: 787

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)NCCOC)NC(=O)C(CC1=CC=CC=C1)CC(C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O
• Isomeric SMILES: CC(C)[C@@H](C(=O)NCCOC)NC(=O)[C@H](CC1=CC=CC=C1)C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O

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