(1'S,2'S,12S,15R)-15-(2'-(((Furanyloxy)carbonyl)amino)-1'-hydroxy-3'-phenylprop-1'-yl)-13-(1-methylethyl)-10,13,16-triaza-1,4,7-trioxa-11,14-dioxo(17)paracyclophane
Basic information
- CAS
180968-44-9- Standard SMILES
CC(C)[C@@H]1NC(=O)[C@@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)OC2CCOC2)NCc2ccc(cc2)OCCOCCOCCNC1=O- InChIKey
PWEJSYALDYQGFY-SWJFXVHUSA-N- Molecular formula
- C34H48N4O9
- Average molar mass
- 656.8 g/mol
- Monoisotopic mass
- 656.34212912
Names & identifiers
- Preferred name
- (1'S,2'S,12S,15R)-15-(2'-(((Furanyloxy)carbonyl)amino)-1'-hydroxy-3'-phenylprop-1'-yl)-13-(1-methylethyl)-10,13,16-triaza-1,4,7-trioxa-11,14-dioxo(17)paracyclophane
- IUPAC
- oxolan-3-yl N-[(1R,2S)-1-[(13S,16R)-12,15-dioxo-13-propan-2-yl-2,5,8-trioxa-11,14,17-triazabicyclo[17.2.2]tricosa-1(21),19,22-trien-16-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamate
Names & synonyms
180968-44-9(1'S,2'S,12S,15R)-15-(2'-(((Furanyloxy)carbonyl)amino)-1'-hydroxy-3'-phenylprop-1'-yl)-13-(1-methylethyl)-10,13,16-triaza-1,4,7-trioxa-11,14-dioxo(17)paracyclophane(1'S,2'S,12S,15R)-15-[2'-[[(Furanyloxy)carbonyl]amino]-1'-hydroxy-3'-phenylprop-1'-yl]-13-(1-methylethyl)-10,13,16-triaza-1,4,7-trioxa-11,14-dioxo[17]paracyclophane1OH-2-FuranOCONH-3PhPr [17]paracyclophane deriv.DTXSID70939398Oxolan-3-yl hydrogen {(1S,2S)-1-[(13S,16R)-12,15-dihydroxy-13-(propan-2-yl)-2,5,8-trioxa-11,14,17-triazabicyclo[17.2.2]tricosa-1(21),11,14,19,22-pentaen-16-yl]-1-hydroxy-3-phenylpropan-2-yl}carbonimidateOxolan-3-yl hydrogen {1-[12,15-dihydroxy-13-(propan-2-yl)-2,5,8-trioxa-11,14,17-triazabicyclo[17.2.2]tricosa-1(21),11,14,19,22-pentaen-16-yl]-1-hydroxy-3-phenylpropan-2-yl}carbonimidatetetrahydrofuran-3-yl N-[(1S,2R)-1-benzyl-2-hydroxy-2-[(4R,7S)-7-isopropyl-5,8-dioxo-12,15,18-trioxa-3,6,9-triazabicyclo[17.2.2]tricosa-1(22),19(23),20-trien-4-yl]ethyl]carbamate
Database identifiers
- CAS
180968-44-9
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 943
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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