(Q83037222)

English

(2R,3S,4S,1'S,2'R)-4-(((N-((Benzyloxy)carbonyl)-L-tert-leucyl)amino)-3-hydroxy-2-((4-methoxybenzyl)amino)-5-phenylpentan(2'-hydroxy-1'-indanyl)amide

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

722.3679499400001 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₂H₅₀N₄O₇

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canonical SMILES

COc1ccc(CNC(C(=O)NC2c3ccccc3CC2O)C(O)C(Cc2ccccc2)NC(=O)C(NC(=O)OCc2ccccc2)C(C)(C)C)cc1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H]([C@H](C(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)O)NCC4=CC=C(C=C4)OC)O)NC(=O)OCC5=CC=CC=C5

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Identifiers

InChI

InChI=1S/C42H50N4O7/c1-42(2,3)38(46-41(51)53-26-29-15-9-6-10-16-29)40(50)44-33(23-27-13-7-5-8-14-27)37(48)36(43-25-28-19-21-31(52-4)22-20-28)39(49)45-35-32-18-12-11-17-30(32)24-34(35)47/h5-22,33-38,43,47-48H,23-26H2,1-4H3,(H,44,50)(H,45,49)(H,46,51)/t33-,34+,35-,36+,37+,38+/m0/s1

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InChIKey

ZVWSWYSIMOZTTG-QVDBQUMVSA-N

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matched by identifier from

InChIKey

ZVWSWYSIMOZTTG-QVDBQUMVSA-N

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matched by identifier from

InChIKey

ZVWSWYSIMOZTTG-QVDBQUMVSA-N

DSSTOX compound identifier

DTXCID4090265

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Probes And Drugs ID

PD161179

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(Q83037222)

(2R,3S,4S,1'S,2'R)-4-(((N-((Benzyloxy)carbonyl)-L-tert-leucyl)amino)-3-hydroxy-2-((4-methoxybenzyl)amino)-5-phenylpentan(2'-hydroxy-1'-indanyl)amide

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