(Q104180093)

English

NWTWMUWVJZFILT-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₁₀₆H₁₇₄N₂₄O₂₇

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Statements

group of stereoisomers

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biogenic cyclopeptide

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biogenic cyclopeptide

2,215.298026307997 dalton

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based on heuristic

inferred from InChI

chemical formula

C₁₀₆H₁₇₄N₂₄O₂₇

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canonical SMILES

CC=C(NC(=O)C(C)NC(=O)C(C)NC(=O)C(NC(=O)C(C)NC(=O)C(C)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C1CCCN1C(=O)C(=CC)NC(=O)CC(O)CCCCCCCCCCC)C(C)C)C(C)C)C(C)C)C(=O)NC1C(=O)NC(CO)C(=O)NC(C)C(=O)NC(=CC)C(=O)NC(C)C(=O)NC(CCN)C(=O)NC(CCN)C(=O)NC(Cc2ccc(O)cc2)C(=O)OC1C

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Identifiers

InChI=1S/C106H174N24O27/c1-24-28-29-30-31-32-33-34-35-37-69(133)51-80(134)117-72(27-4)105(155)130-47-36-38-79(130)100(150)128-83(57(13)14)103(153)123-75(48-53(5)6)97(147)113-58(15)85(135)110-62(19)91(141)122-76(49-54(7)8)98(148)127-82(56(11)12)102(152)116-60(17)87(137)111-65(22)92(142)126-81(55(9)10)101(151)115-59(16)86(136)109-61(18)88(138)119-71(26-3)94(144)129-84-66(23)157-106(156)77(50-67-39-41-68(132)42-40-67)124-96(146)74(44-46-108)121-95(145)73(43-45-107)120-90(140)64(21)112-93(143)70(25-2)118-89(139)63(20)114-99(149)78(52-131)125-104(84)154/h25-27,39-42,53-66,69,73-79,81-84,131-133H,24,28-38,43-52,107-108H2,1-23H3,(H,109,136)(H,110,135)(H,111,137)(H,112,143)(H,113,147)(H,114,149)(H,115,151)(H,116,152)(H,117,134)(H,118,139)(H,119,138)(H,120,140)(H,121,145)(H,122,141)(H,123,153)(H,124,146)(H,125,154)(H,126,142)(H,127,148)(H,128,150)(H,129,144)

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NWTWMUWVJZFILT-UHFFFAOYSA-N

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1 reference

15 September 2022

1 reference

15 September 2022

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