(Q105285194)

English

Ac-DL-Phe-Aib-DL-Ser-Aib-DL-Iva-DL-Leu-DL-Gln-Gly-Aib-Aib-DL-Ala-DL-Ala-Aib-Aib-Aib-Aib-Aib-DL-Gln-DL-Trp-ol

group of stereoisomers with the chemical formula C₉₀H₁₄₂N₂₂O₂₃

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Statements

group of stereoisomers

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chemical compound

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1,900.2276 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₉₀H₁₄₂N₂₂O₂₃

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canonical SMILES

CCC(C)(NC(=O)C(C)(C)NC(=O)C(CO)NC(=O)C(C)(C)NC(=O)C(Cc1ccccc1)NC(C)=O)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NCC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(CO)Cc1c[nH]c2ccccc12

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Identifiers

InChI=1S/C90H142N22O23/c1-26-90(25,112-79(134)86(17,18)106-70(125)60(46-114)102-72(127)81(7,8)105-69(124)59(97-50(6)115)41-51-32-28-27-29-33-51)80(135)101-58(40-47(2)3)68(123)99-56(36-38-61(91)116)66(121)94-44-63(118)103-84(13,14)74(129)107-82(9,10)71(126)96-48(4)64(119)95-49(5)65(120)104-85(15,16)75(130)109-88(21,22)77(132)111-89(23,24)78(133)110-87(19,20)76(131)108-83(11,12)73(128)100-57(37-39-62(92)117)67(122)98-53(45-113)42-52-43-93-55-35-31-30-34-54(52)55/h27-35,43,47-49,53,56-60,93,113-114H,26,36-42,44-46H2,1-25H3,(H2,91,116)(H2,92,117)(H,94,121)(H,95,119)(H,96,126)(H,97,115)(H,98,122)(H,99,123)(H,100,128)(H,101,135)(H,102,127)(H,103,118)(H,104,120)(H,105,124)(H,106,125)(H,107,129)(H,108,131)(H,109,130)(H,110,133)(H,111,132)(H,112,134)

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VFEZBCNAKMFKSA-UHFFFAOYSA-N

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1 reference

15 September 2022

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15 September 2022

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