(Q105109792)

English

(2S,8S,15S,18R,22S,25S,26R)-8,15-dibenzyl-26-methyl-22-propan-2-yl-27-oxa-13,20-dithia-6,9,16,23,28,29,30-heptazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),11,14(30),21(29)-tetraene-7,10,17,24-tetrone

chemical compound

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instance of

type of chemical entity

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1 reference

8,15-dibenzyl-10,17,24-trihydroxy-22-isopropyl-26-methyl-27-oxa-13,20-dithia-6,9,16,23,28,29,30-heptaazapentacyclo[23.2.1.1¹¹,¹⁴.1¹⁸,²¹.0²,⁶]triaconta-1(28),9,11,14(30),16,21(29),23-heptaen-7-one

1 reference

based on heuristic

inferred from SMILES

mass

741.276709476 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(2S,8S,15S,18S,22R,25S,26R)-8,15-dibenzyl-26-methyl-22-propan-2-yl-27-oxa-13,20-dithia-6,9,16,23,28,29,30-heptazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),11,14(30),21(29)-tetraene-7,10,17,24-tetrone

1 reference

based on heuristic

inferred from InChI

(2S,8S,15R,18R,22R,25S,26R)-8,15-dibenzyl-26-methyl-22-propan-2-yl-27-oxa-13,20-dithia-6,9,16,23,28,29,30-heptazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),11,14(30),21(29)-tetraene-7,10,17,24-tetrone

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₈H₄₃N₇O₅S₂

0 references

canonical SMILES

CC(C)C1NC(=O)C2N=C(OC2C)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)c2csc(n2)C(Cc2ccccc2)NC(=O)C2CSC1=N2

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isomeric SMILES

CC(C)[C@@H]1NC(=O)[C@H]2N=C(O[C@@H]2C)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSC1=N2

0 references

found in taxon

Lissoclinum patella

4 references

stated in

Cyclic peptides from the ascidian Lissoclinum patella: conformational analysis of patellamide D by x-ray analysis and molecular modeling

stated in

New cyclic peptides with cytotoxic activity from the ascidian Lissoclinum patella.

stated in

Preulithiacyclamide, a New Cyclic Peptide from the AscidianLissoclinum patella

stated in

Structure-activity relationships of the lissoclinamides: cytotoxic cyclic peptides from the ascidian Lissoclinum patella

Identifiers

InChI

InChI=1S/C38H43N7O5S2/c1-21(2)30-37-42-28(20-52-37)32(46)39-25(17-23-11-6-4-7-12-23)36-41-27(19-51-36)33(47)40-26(18-24-13-8-5-9-14-24)38(49)45-16-10-15-29(45)35-44-31(22(3)50-35)34(48)43-30/h4-9,11-14,19,21-22,25-26,28-31H,10,15-18,20H2,1-3H3,(H,39,46)(H,40,47)(H,43,48)/t22-,25+,26+,28+,29+,30+,31+/m1/s1

0 references

InChIKey

HKYACNDBJBTRBK-RZNMBMNJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HKYACNDBJBTRBK-RZNMBMNJSA-N

1 reference

(Q105109792)

(2S,8S,15S,18R,22S,25S,26R)-8,15-dibenzyl-26-methyl-22-propan-2-yl-27-oxa-13,20-dithia-6,9,16,23,28,29,30-heptazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),11,14(30),21(29)-tetraene-7,10,17,24-tetrone

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