B3C
benzyl [(1R)-1-({(2S,4R)-2-({(1S)-5-amino-1-[(S)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-4-[(4-methylbenzyl)oxy]pyrrolidin-1-yl}carbonyl)-3-phenylpropyl]carbamate
Find entries where: B3C
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | benzyl [(1R)-1-({(2S,4R)-2-({(1S)-5-amino-1-[(S)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-4-[(4-methylbenzyl)oxy]pyrrolidin-1-yl}carbonyl)-3-phenylpropyl]carbamate |
Identifiers | phenylmethyl N-[(2R)-1-[(2S,4R)-2-[[(1S,2S)-6-amino-1-(1,3-benzoxazol-2-yl)-1-hydroxy-hexan-2-yl]carbamoyl]-4-[(4-methylphenyl)methoxy]pyrrolidin-1-yl]-1-oxo-4-phenyl-butan-2-yl]carbamate |
Formula | C44 H51 N5 O7 |
Molecular Weight | 761.905 |
Type | NON-POLYMER |
Isomeric SMILES | Cc1ccc(cc1)CO[C@@H]2C[C@H](N(C2)C(=O)[C@@H](CCc3ccccc3)NC(=O)OCc4ccccc4)C(=O)N[C@@H](CCCCN)[C@@H](c5nc6ccccc6o5)O |
InChI | InChI=1S/C44H51N5O7/c1-30-19-21-33(22-20-30)28-54-34-26-38(41(51)46-36(17-10-11-25-45)40(50)42-47-35-16-8-9-18-39(35)56-42)49(27-34)43(52)37(24-23-31-12-4-2-5-13-31)48-44(53)55-29-32-14-6-3-7-15-32/h2-9,12-16,18-22,34,36-38,40,50H,10-11,17,23-29,45H2,1H3,(H,46,51)(H,48,53)/t34-,36+,37-,38+,40+/m1/s1 |
InChIKey | TVIIOXGKJUPSLO-XBIDFNDNSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 107 |
Chiral Atom Count | 5 |
Bond Count | 112 |
Aromatic Bond Count | 28 |
Related Resource References
Resource Name | Reference |
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PubChem | 44629719 |