(Q104169542)

English

N(1)Gly-DL-Asn-DL-Trp-DL-His-Gly-DL-xiThr-DL-Ser-DL-Pro-DL-Asp(1)-DL-Trp-DL-Phe-DL-Phe-DL-Asn-DL-Tyr-DL-Tyr-DL-Trp(7-OH)-OH

group of stereoisomers with the chemical formula C₁₀₃H₁₁₅N₂₃O₂₅

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Statements

group of stereoisomers

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biogenic cyclopeptide

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biogenic cyclopeptide

2,075.1583 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₀₃H₁₁₅N₂₃O₂₅

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canonical SMILES

CC(O)C1NC(=O)CNC(=O)C(Cc2cnc[nH]2)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)CC(C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NC(CC(N)=O)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2c[nH]c3c(O)cccc23)C(=O)O)NC(=O)C2CCCN2C(=O)C(CO)NC1=O

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Identifiers

InChI=1S/C103H115N23O25/c1-53(128)88-101(148)124-80(51-127)102(149)126-33-13-23-81(126)100(147)122-78(44-85(134)109-49-86(135)113-76(42-83(104)132)97(144)118-74(39-59-46-108-68-22-11-9-19-65(59)68)96(143)120-75(41-61-48-106-52-112-61)90(137)111-50-87(136)125-88)99(146)119-73(38-58-45-107-67-21-10-8-18-64(58)67)95(142)116-69(34-54-14-4-2-5-15-54)91(138)114-70(35-55-16-6-3-7-17-55)93(140)121-77(43-84(105)133)98(145)117-71(36-56-25-29-62(129)30-26-56)92(139)115-72(37-57-27-31-63(130)32-28-57)94(141)123-79(103(150)151)40-60-47-110-89-66(60)20-12-24-82(89)131/h2-12,14-22,24-32,45-48,52-53,69-81,88,107-108,110,127-131H,13,23,33-44,49-51H2,1H3,(H2,104,132)(H2,105,133)(H,106,112)(H,109,134)(H,111,137)(H,113,135)(H,114,138)(H,115,139)(H,116,142)(H,117,145)(H,118,144)(H,119,146)(H,120,143)(H,121,140)(H,122,147)(H,123,141)(H,124,148)(H,125,136)(H,150,151)

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JHNVFWSVMMAWSD-UHFFFAOYSA-N

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1 reference

15 September 2022

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15 September 2022

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