(Q104196943)

English

N-[5-benzyl-21-hydroxy-4,11-dimethyl-2,15-bis(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-(butanoylamino)-3-methylbutanamide

group of stereoisomers with the chemical formula C₄₅H₇₁N₇O₁₀

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instance of

group of stereoisomers

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subclass of

biogenic cyclopeptide

1 reference

inferred from

biogenic cyclopeptide

mass

869.5262414720002 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₅H₇₁N₇O₁₀

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canonical SMILES

CCCC(=O)NC(C(=O)NC1C(=O)NC(CC(C)C)C(=O)NC2CCC(O)N(C2=O)C(CC(C)C)C(=O)N(C)C(Cc2ccccc2)C(=O)NC(C(C)C)C(=O)OC1C)C(C)C

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Identifiers

InChI

InChI=1S/C45H71N7O10/c1-12-16-34(53)48-36(26(6)7)41(57)50-38-28(10)62-45(61)37(27(8)9)49-40(56)32(23-29-17-14-13-15-18-29)51(11)44(60)33(22-25(4)5)52-35(54)20-19-30(43(52)59)46-39(55)31(21-24(2)3)47-42(38)58/h13-15,17-18,24-28,30-33,35-38,54H,12,16,19-23H2,1-11H3,(H,46,55)(H,47,58)(H,48,53)(H,49,56)(H,50,57)

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InChIKey

RUCVBGWUPBXPNT-UHFFFAOYSA-N

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PubChem CID

85144058

1 reference

based on heuristic

inferred from InChIKey

(Q104196943)

N-[5-benzyl-21-hydroxy-4,11-dimethyl-2,15-bis(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-(butanoylamino)-3-methylbutanamide

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