12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-3-((4-(3-(4-morpholinyl)-3-oxopropyl)phenyl)methyl)-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-
Basic information
- CAS
175233-60-0- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccc(CCC(=O)N2CCOCC2)cc1)NC(=O)OC(C)(C)C- InChIKey
SGSVELRCCSUWEU-GASGPIRDSA-N- Molecular formula
- C37H56N4O8
- Average molar mass
- 684.9 g/mol
- Monoisotopic mass
- 684.40981476
Names & identifiers
- Preferred name
- 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-3-((4-(3-(4-morpholinyl)-3-oxopropyl)phenyl)methyl)-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-
- IUPAC
- tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(3-morpholin-4-yl-3-oxopropyl)phenyl]butyl]amino]-1-phenylbutan-2-yl]carbamate
Names & synonyms
175233-60-012-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-3-((4-(3-(4-morpholinyl)-3-oxopropyl)phenyl)methyl)-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-DTXSID10169955(1S-(1R,2S(2S,3R)))-(3-((3-(((1,1-Dimethylethoxy)-carbonyl)amino)-2-hydroxy-4-(4-(3-(4-morpholinyl)-3-oxopropyl)phenyl)butyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)carbamic Acid, 1,1-Dimethylethyl ester12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-3-[[4-[3-(4-morpholinyl)-3-oxopropyl]phenyl]methyl]-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, [3S-(3R*,4S*,8S*,9R*)]-RefChem:236421DTXCID1092446BDBM683CHEMBL64701tert-butyl N-[(2S,3R)-4-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-4-{4-[3-(morpholin-4-yl)-3-oxopropyl]phenyl}butyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamatehydroxy-1-(phenylmethyl)propyl]carbamic Acid, 1,1-Dimethylethy Ester[1S-[1R*,2S*(2S*,3R*)]]-[3-[[3-[[(1,1-Dimethylethoamino]-2-hydroxy-4-[4-[3-(4-morpholinyl)-3-oxopropyl]xy)-carbonyl]phenyl]butyl]amino]-2-
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Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 19
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 995
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