(Q76755842)

English

6-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-(benzylamino)-3-[(3R)-3-hydroxy-2-oxo-1H-indol-3-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]hexanamide

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

762.3740979400001 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₃H₅₀N₆O₇

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canonical SMILES

CC(NC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCN)C(=O)NC(CC1(O)C(=O)Nc2ccccc21)C(=O)NCc1ccccc1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@@H](C(=O)N[C@@H](C[C@]1(C2=CC=CC=C2NC1=O)O)C(=O)NCC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=C(C=C4)OCC5=CC=CC=C5)NC(=O)CCCCCN

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Identifiers

InChI

InChI=1S/C43H50N6O7/c1-29(39(51)48-37(40(52)45-27-31-13-5-2-6-14-31)26-43(55)34-17-10-11-18-35(34)49-42(43)54)46-41(53)36(47-38(50)19-9-4-12-24-44)25-30-20-22-33(23-21-30)56-28-32-15-7-3-8-16-32/h2-3,5-8,10-11,13-18,20-23,29,36-37,55H,4,9,12,19,24-28,44H2,1H3,(H,45,52)(H,46,53)(H,47,50)(H,48,51)(H,49,54)/t29-,36-,37-,43+/m0/s1

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InChIKey

XTQZRBQVRXMLQF-ARHCYIOHSA-N

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PubChem CID

71305067

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matched by identifier from

InChIKey

XTQZRBQVRXMLQF-ARHCYIOHSA-N

1 reference

(Q76755842)

6-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-(benzylamino)-3-[(3R)-3-hydroxy-2-oxo-1H-indol-3-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]hexanamide

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