(Q76755906)

English

(2R,4S,5S)-5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-2-ethyl-4-hydroxy-N-[(1S,3R)-5-hydroxy-2-adamantyl]hexanamide

group of stereoisomers with the chemical formula C₃₀H₄₅ClN₄O₄

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Statements

group of stereoisomers

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chemical compound

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560.3129336 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₄₅ClN₄O₄

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canonical SMILES

CCC(CC(O)C(N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)NC1C2CC3CC1CC(O)(C3)C2

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC[C@H](C[C@@H]([C@H](CN1CC(=O)N(CC1(C)C)C2=CC=CC=C2Cl)N)O)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O

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Identifiers

InChI=1S/C30H45ClN4O4/c1-4-19(28(38)33-27-20-9-18-10-21(27)14-30(39,12-18)13-20)11-25(36)23(32)15-34-16-26(37)35(17-29(34,2)3)24-8-6-5-7-22(24)31/h5-8,18-21,23,25,27,36,39H,4,9-17,32H2,1-3H3,(H,33,38)/t18?,19-,20-,21+,23+,25+,27?,30?/m1/s1

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MGQQKSSUXHKDSK-TVUBJCIUSA-N

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UniChem compound ID

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