(Q104887352)

English

3-[6,9,12-tribenzyl-1,4,7,10,13,16,19-heptahydroxy-15,21-dimethyl-3-(2-methylpropyl)-22-oxo-3H,6H,9H,12H,15H,18H,21H,24H,25H,26H,26aH-pyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-18-yl]propanimidic acid

group of stereoisomers with the chemical formula C₄₉H₆₃N₉O₉

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Statements

instance of

group of stereoisomers

0 references

subclass of

biogenic cyclopeptide

1 reference

inferred from

biogenic cyclopeptide

mass

921.474874596 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₉H₆₃N₉O₉

0 references

canonical SMILES

CC(C)CC1NC(=O)C2CCCN2C(=O)C(C)NC(=O)C(CCC(N)=O)NC(=O)C(C)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC1=O

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Identifiers

InChI

InChI=1S/C49H63N9O9/c1-29(2)25-36-45(63)55-38(27-33-17-10-6-11-18-33)47(65)56-39(28-34-19-12-7-13-20-34)46(64)54-37(26-32-15-8-5-9-16-32)44(62)51-30(3)42(60)53-35(22-23-41(50)59)43(61)52-31(4)49(67)58-24-14-21-40(58)48(66)57-36/h5-13,15-20,29-31,35-40H,14,21-28H2,1-4H3,(H2,50,59)(H,51,62)(H,52,61)(H,53,60)(H,54,64)(H,55,63)(H,56,65)(H,57,66)

0 references

InChIKey

LPFPRCWRCQGJHJ-UHFFFAOYSA-N

0 references

PubChem CID

146683763

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

LPFPRCWRCQGJHJ-UHFFFAOYSA-N

1 reference

1 reference

matched by identifier from

InChIKey

LPFPRCWRCQGJHJ-UHFFFAOYSA-N

(Q104887352)

3-[6,9,12-tribenzyl-1,4,7,10,13,16,19-heptahydroxy-15,21-dimethyl-3-(2-methylpropyl)-22-oxo-3H,6H,9H,12H,15H,18H,21H,24H,25H,26H,26aH-pyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-18-yl]propanimidic acid

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