Wy 40793

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Basic information

CAS: 63122-19-0
Standard SMILES: C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCNC(=O)CCCCCCN)NC(=O)[C@H](CO)NC1=O
InChIKey: PUFCZWHVSPDYCO-SJFJPBBTSA-N
Molecular formula: C72H99N15O15
Average molar mass: 1,414.6 g/mol
Monoisotopic mass: 1,413.74450751

Overview

cyclic (13-4)-peptide

Names & identifiers

Preferred name: Wy 40793
IUPAC: 7-amino-N-[4-[(2S,5S,8S,11S,14R,17S,20S,23S,26S,29S)-17-(4-aminobutyl)-5-(2-amino-2-oxoethyl)-8,11,23-tribenzyl-20,26-bis[(1R)-1-hydroxyethyl]-29-(hydroxymethyl)-14-(1H-indol-3-ylmethyl)-3,6,9,12,15,18,21,24,27,30-decaoxo-1,4,7,10,13,16,19,22,25,28-decazacyclotriacont-2-yl]butyl]heptanamide

Names & synonyms

Wy 40793Wy-4079363122-19-0RefChem:195056L-Serine, N2 -(7-amino-1-oxoheptyl)-L-lysyl-L-asparaginyl-L-phenylalanyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-L-phenylalanyl-L-threonyl-, cyclic (10-1)-peptide

Database identifiers

CAS: 63122-19-0
PubChem CID: 124201499

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 492 Å²
Hydrogen bond donors: 18
Hydrogen bond acceptors: 17
Rotatable bonds: 28
Heavy atoms: 102
Formal charge: 0
Complexity: 2,710

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Compound notes

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