(Q105104997)

English

(2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(4S)-4-hydroxy-1-[2-methyl-2-(tetradecanoylamino)propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]pentanediamide

group of stereoisomers with the chemical formula C₄₃H₇₉N₇O₉

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

837.5939271079999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₃H₇₉N₇O₉

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canonical SMILES

CCCCCCCCCCCCCC(=O)NC(C)(C)C(=O)N1CC(O)CC1C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(CO)CC(C)C

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isomeric SMILES

CCCCCCCCCCCCCC(=O)NC(C)(C)C(=O)N1C[C@@H](O)CC1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CO)CC(C)C

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Identifiers

InChI

InChI=1S/C43H79N7O9/c1-9-10-11-12-13-14-15-16-17-18-19-20-37(54)49-43(7,8)42(59)50-26-32(52)25-35(50)41(58)48-34(24-29(4)5)40(57)45-30(6)38(55)47-33(21-22-36(44)53)39(56)46-31(27-51)23-28(2)3/h28-35,51-52H,9-27H2,1-8H3,(H2,44,53)(H,45,57)(H,46,56)(H,47,55)(H,48,58)(H,49,54)/t30-,31-,32-,33-,34-,35?/m0/s1

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InChIKey

FFCLYSVFZQXUHI-HNDVOYBXSA-N

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1 reference

15 September 2022

1 reference

(Q105104997)

(2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(4S)-4-hydroxy-1-[2-methyl-2-(tetradecanoylamino)propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]pentanediamide

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