(Q104203131)

English

XCGGFKXEWPNQFS-HGRJMTOVSA-N

group of stereoisomers with the chemical formula C₇₃H₁₀₇N₁₃O₂₁

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Statements

group of stereoisomers

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biogenic cyclopeptide

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biogenic cyclopeptide

1,501.7704474439997 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₇₃H₁₀₇N₁₃O₂₁

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canonical SMILES

CC=C1NC(=O)C(CO)NC(=O)C(C(C)CC)NC(=O)C2CCCN2C(=O)C2CCCN2C(=O)CNC(=O)C(CCC(N)=O)NC(=O)C(O)C(CC(CC(O)C(O)CC(C)C)OC(=O)C(Cc2ccc(O)cc2)N(C)C(C)=O)NC(=O)C2CCCN2C(=O)C(CCc2ccccc2)NC(=O)C(C(C)O)NC1=O

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isomeric SMILES

C/C=C1/NC(=O)C(CO)NC(=O)C(C(C)CC)NC(=O)C2CCCN2C(=O)C2CCCN2C(=O)CNC(=O)C(CCC(N)=O)NC(=O)C(O)C(CC(CC(O)C(O)CC(C)C)OC(=O)C(Cc2ccc(O)cc2)N(C)C(C)=O)NC(=O)C2CCCN2C(=O)C(CCc2ccccc2)NC(=O)C(C(C)O)NC1=O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+

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XCGGFKXEWPNQFS-HGRJMTOVSA-N

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