(Q104193237)

English

cyclo[Abu(2,3-dehydro)-DL-xiThr-DL-hPhe-DL-Pro-Unk-DL-Gln-Gly-DL-Pro-DL-Pro-DL-xiIle-DL-Ser]

group of stereoisomers with the chemical formula C₆₁H₉₄N₁₂O₁₈

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Statements

group of stereoisomers

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biogenic cyclopeptide

1 reference

biogenic cyclopeptide

1,282.680904167999 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₆₁H₉₄N₁₂O₁₈

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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(O)CC(O)C(O)CC(C)C)NC(=O)C2CCCN2C(=O)C(CCc2ccccc2)NC(=O)C(C(C)O)NC1=O

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Identifiers

InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)

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OCPKVHKLLYWOOG-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

OCPKVHKLLYWOOG-UHFFFAOYSA-N

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