(Q115970872)

English

(6S,12S,15R,18S,31S)-12-[(2S)-butan-2-yl]-13,24,27-trimethyl-3-(1-phenylpropan-2-yl)-15,28-di(propan-2-yl)-16,25-dioxa-4,10,13,22,29,34-hexazatetracyclo[29.2.1.06,10.018,22]tetratriacontane-2,5,11,14,17,23,26,30-octone

group of stereoisomers with the chemical formula C₄₈H₇₂N₆O₁₀

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

892.530992504 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₈H₇₂N₆O₁₀

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canonical SMILES

O=C1OC(C(=O)N(C)C(C(=O)N2CCCC2C(=O)NC(C(=O)C3NC(C(=O)NC(C(C(=O)OC(C(=O)N4CCCC14)C)C)C(C)C)CC3)C(C)CC=5C=CC=CC5)C(C)CC)C(C)C

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isomeric SMILES

CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)NC(C(C)Cc2ccccc2)C(=O)C2CC[C@H](N2)C(=O)NC(C(C)C)C(C)C(=O)OC(C)C(=O)N2CCC[C@H]2C(=O)O[C@H](C(C)C)C(=O)N1C

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found in taxon

Lyngbya majuscula

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stated in

Isolation of homodolastatin 16, a new cyclic depsipeptide from a Kenyan collection of Lyngbya majuscula

Identifiers

InChI

InChI=1S/C48H72N6O10/c1-11-28(6)39-45(59)53-23-15-19-35(53)43(57)51-38(29(7)25-32-17-13-12-14-18-32)40(55)33-21-22-34(49-33)42(56)50-37(26(2)3)30(8)47(61)63-31(9)44(58)54-24-16-20-36(54)48(62)64-41(27(4)5)46(60)52(39)10/h12-14,17-18,26-31,33-39,41,49H,11,15-16,19-25H2,1-10H3,(H,50,56)(H,51,57)/t28-,29?,30?,31?,33?,34-,35-,36-,37?,38?,39-,41+/m0/s1

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InChIKey

VMYGGVVECNLRDR-SQJVNCCESA-N

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1 reference

3 January 2023

inferred from InChIKey

1 reference

(Q115970872)

(6S,12S,15R,18S,31S)-12-[(2S)-butan-2-yl]-13,24,27-trimethyl-3-(1-phenylpropan-2-yl)-15,28-di(propan-2-yl)-16,25-dioxa-4,10,13,22,29,34-hexazatetracyclo[29.2.1.06,10.018,22]tetratriacontane-2,5,11,14,17,23,26,30-octone

Statements

Identifiers

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