(Q104203138)

English

OIVBMJYHGKIQDX-YGRBZDMJSA-N

group of stereoisomers with the chemical formula C₆₃H₉₀N₁₂O₁₈

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Statements

group of stereoisomers

0 references

biogenic cyclopeptide

1 reference

biogenic cyclopeptide

1,302.64960404 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₆₃H₉₀N₁₂O₁₈

0 references

canonical SMILES

CC=C1NC(=O)C(CO)NC(=O)C(=CC)NC(=O)C(Cc2ccccc2)NC(=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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isomeric SMILES

C/C=C1/NC(=O)C(CO)NC(=O)/C(=C\C)NC(=O)C(Cc2ccccc2)NC(=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

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C63H90N12O18/c1-6-39-55(85)72-45(33-76)58(88)67-40(7-2)56(86)73-52(35(5)77)61(91)69-42(23-22-36-16-10-8-11-17-36)63(93)75-27-15-21-47(75)60(90)70-43(30-38(78)31-49(80)48(79)28-34(3)4)53(83)62(92)68-41(24-25-50(64)81)54(84)65-32-51(82)74-26-14-20-46(74)59(89)71-44(57(87)66-39)29-37-18-12-9-13-19-37/h6-13,16-19,34-35,38,41-49,52-53,76-80,83H,14-15,20-33H2,1-5H3,(H2,64,81)(H,65,84)(H,66,87)(H,67,88)(H,68,92)(H,69,91)(H,70,90)(H,71,89)(H,72,85)(H,73,86)/b39-6+,40-7+

0 references

OIVBMJYHGKIQDX-YGRBZDMJSA-N

0 references

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