Patellamide F

HCID 392480

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Basic information

CAS: 164803-18-3
Standard SMILES: CC(C)[C@@H]1NC(=O)c2csc(n2)[C@@H](C(C)C)NC(=O)[C@H]2N=C(O[C@@H]2C)[C@H](C(C)C)NC(=O)c2csc(n2)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2COC1=N2
InChIKey: DIJMIACMPAVWLR-HJXMHUEUSA-N
Molecular formula: C37H46N8O6S2
Average molar mass: 762.9 g/mol
Monoisotopic mass: 762.29817356

Overview

patellamide F has been reported in Lissoclinum patella with data available.

Names & identifiers

Preferred name: Patellamide F
IUPAC: (4S,7R,8S,11R,18S,22S,25R)-25-benzyl-7-methyl-4,11,18-tri(propan-2-yl)-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-1(28),5(32),12(31),14,19(30),26(29)-hexaene-2,9,16,23-tetrone

Names & synonyms

Patellamide F164803-18-3(4S,7R,8S,11R,18S,22S,25R)-25-benzyl-7-methyl-4,11,18-tri(propan-2-yl)-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-1(28),5(32),12(31),14,19(30),26(29)-hexaene-2,9,16,23-tetrone(4S,7R,8S,11R,18S,22S,25R)-25-benzyl-7-methyl-4,11,18-tri(propan-2-yl)-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octazapentacyclo(24.2.1.15,8.112,15.119,22)dotriaconta-1(28),5(32),12(31),14,19(30),26(29)-hexaene-2,9,16,23-tetroneRefChem:170167CHEMBL503588DTXSID20936998NSC692979NSC-692979(1~4~S,1~5~R,2S,6R,9~4~S,10S,14R)-6-Benzyl-1~5~-methyl-2,10,14-tri(propan-2-yl)-3,7,11,15-tetraaza-1(2,4),9(4,2)-di([1,3]oxazola)-5,13(4,2)-di([1,3]thiazola)cyclohexadecaphane-3,7,11,15-tetraene-4,8,12,16-tetrol25-Benzyl-7-methyl-4,11,18-tri(propan-2-yl)-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octaazapentacyclo[24.2.1.1~5,8~.1~12,15~.1~19,22~]dotriaconta-1(28),2,5(32),9,12(31),14,16,19(30),23,26(29)-decaene-2,9,16,23-tetrol

Database identifiers

CAS: 164803-18-3

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 242 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 12
Rotatable bonds: 5
Heavy atoms: 53
Formal charge: 0
Complexity: 1,420

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