(Q76613795)

English

(4R)-3-[(2S,3S)-3-[[(2R)-2-[[2-(4-aminophenyl)acetyl]amino]-3-methylsulfanylpropanoyl]amino]-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

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

719.28112616 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₇H₄₅N₅O₆S₂

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canonical SMILES

CC1(C(N(CS1)C(=O)C(C(Cc2ccccc2)NC(=O)C(CSC)NC(=O)Cc3ccc(cc3)N)O)C(=O)NC4c5ccccc5CC4O)C

1 reference

stated in

RCSB protein data bank

PDB ligand ID

8VO

language of work or name

English

retrieved

16 February 2021

isomeric SMILES

CC1([C@H](N(CS1)C(=O)[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CSC)NC(=O)CC3=CC=C(C=C3)N)O)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)C

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Identifiers

InChI

InChI=1S/C37H45N5O6S2/c1-37(2)33(35(47)41-31-26-12-8-7-11-24(26)19-29(31)43)42(21-50-37)36(48)32(45)27(17-22-9-5-4-6-10-22)40-34(46)28(20-49-3)39-30(44)18-23-13-15-25(38)16-14-23/h4-16,27-29,31-33,43,45H,17-21,38H2,1-3H3,(H,39,44)(H,40,46)(H,41,47)/t27-,28-,29+,31-,32-,33+/m0/s1

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InChIKey

RYWMWBDZOSPVOM-ACUZRORGSA-N

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PubChem CID

44425670

1 reference

matched by identifier from

InChIKey

RYWMWBDZOSPVOM-ACUZRORGSA-N

1 reference

0 references

(Q76613795)

(4R)-3-[(2S,3S)-3-[[(2R)-2-[[2-(4-aminophenyl)acetyl]amino]-3-methylsulfanylpropanoyl]amino]-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

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