(Q76421636)

English

methyl N-[(2S)-1-[2-[(2S)-2-benzyl-2-hydroxy-3-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-3-oxopropyl]-2-[(4-bromophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

680.2209471320001 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₄H₄₁BrN₄O₆

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canonical SMILES

CC(C)(C)C(C(=O)NN(Cc1ccc(cc1)Br)CC(Cc2ccccc2)(C(=O)NC3c4ccccc4CC3O)O)NC(=O)OC

1 reference

stated in

RCSB protein data bank

PDB ligand ID

1AH

language of work or name

English

retrieved

16 February 2021

isomeric SMILES

CC(C)(C)[C@@H](C(=O)NN(CC1=CC=C(C=C1)Br)C[C@@](CC2=CC=CC=C2)(C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)NC(=O)OC

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Identifiers

InChI

InChI=1S/C34H41BrN4O6/c1-33(2,3)29(37-32(43)45-4)30(41)38-39(20-23-14-16-25(35)17-15-23)21-34(44,19-22-10-6-5-7-11-22)31(42)36-28-26-13-9-8-12-24(26)18-27(28)40/h5-17,27-29,40,44H,18-21H2,1-4H3,(H,36,42)(H,37,43)(H,38,41)/t27-,28+,29-,34+/m1/s1

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InChIKey

JTIFBCHFPVQSEH-UNMGZEBXSA-N

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PubChem CID

11513133

1 reference

matched by identifier from

InChIKey

JTIFBCHFPVQSEH-UNMGZEBXSA-N

1 reference

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(Q76421636)

methyl N-[(2S)-1-[2-[(2S)-2-benzyl-2-hydroxy-3-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-3-oxopropyl]-2-[(4-bromophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

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